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The crystal structure of 3-([1,1′-biphenyl]-2-yl)-1,2-diphenylbenzo[b]phosphole-1-oxide, C32H23OP Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-29 Chengxiong Yuan,Mingqing Huang,Fen Liu,Haiyang Huang
Abstract C32H23OP, monoclinic, P21/n (no. 14), a = 9.1869(11) Å, b = 27.940(3) Å, c = 9.6992(11) Å, β = 107.422(2)°, V = 2375.4(5) Å3, Z = 4, R gt (F) = 0.0486, wR ref (F 2) = 0.1255, T = 296 K.
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Crystal structure of 1H-1,2,3-Triazolo[4,5-b]-pyridin-4-ium nitrate, C5H5N5O3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-29 Meng-Shu Zhou,Hong-Ru Fu
Abstract C5H5N5O3, orthorhombic, Pnma (no. 62), a = 13.4643(13) Å, b = 6.2866(10) Å, c = 9.1138(9) Å, V = 771.43(16) Å3, Z = 4, R gt (F) = 0.0517, wR ref (F 2) = 0.1317, T = 293 K.
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The crystal structure of phenantroline-κ2 N,N′-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)copper(II), C36H24N4O4Cu Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-29 Zhao Mei-Li,Tai Xi-Shi
Abstract C36H24N4O4Cu, monoclinic, I12/a1 (no. 15), a = 16.5119(17) Å, b = 11.0747(7) Å, c = 17.6272(17) Å, β = 117.916(13)°, V = 2848.3(5) Å3, Z = 4, R gt (F) = 0.0335, wR ref (F 2) = 0.0759, T = 200 K.
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The crystal structure of 2,5,5-triphenyl-3,5-dihydro-4H-imidazol-4-one, C21H16N2O Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-29 De-Xing Wang,Peng Cao
Abstract C21H16N2O, monoclinic, P21/c (no. 14), a = 13.8987(3) Å, b = 15.0321(5) Å, c = 8.1727(2) Å, β = 99.337(2)°, V = 1684.87(8) Å3, Z = 4, R gt (F) = 0.0411, wR ref (F 2) = 0.1137, T = 293(2) K.
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The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidopropylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)-octakis(pyridine-κ1 N)trinickel(II) C60H56Cl2N12Ni3O6 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-25 Wang Xin,Yang Liguo,Dong Yizhuo,Ye Yanlin,Wang Yifan
Abstract C60H56Cl2N12Ni3O6, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 12.684(5) Å, b = 12.827(5) Å, c = 19.100(7) Å, α = 84.641(4)°, β = 81.178(4)°, γ = 85.471(4)°, V = 3050.7(19) Å3, Z = 2, R gt (F) = 0.0267, wR ref (F 2) = 0.0735, T = 298 K.
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The crystal structure of 2,4,4-triphenyl-4H-benzo[b][1,4]oxaphosphinin-4-ium bromide – dichloromethane (1/1), C27H22BrCl2OP Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-20 Fen Liu,Longgen Sun,Haiyang Huang
Abstract C27H22BrCl2OP, monoclinic, P21/c (no. 14), a = 9.0066(2) Å, b = 15.4924(4) Å, c = 18.5110(4) Å, β = 95.487(2)°, V = 2571.06(11) Å3, Z = 4, R gt (F) = 0.0509, wR ref (F 2) = 0.1494, T = 296 K.
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Crystal structure of N-((3s,5s,7s)-adamantan-1-yl)-2-(3-benzoylphenyl)propanamide, C26H29NO2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-20 Li-Na Gao,Ye Gu,Feng Jin,Duo Hao,Xin-Ru Zhang
Abstract C26H29NO2, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.8490(8) Å, b = 13.2892(9) Å, c = 14.7199(10) Å, α = 89.161(3)°, β = 79.991(2)°, γ = 85.746(2)°, V = 2084.2(3) Å3, Z = 4, R gt (F) = 0.0641, wR ref (F 2) = 0.1449, T = 170 K.
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Crystal structure of (2-(1-hydroxyheptyl)octahydro-8aH-chromene-5,8,8a-triol), C16H30O5 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-20 Tingchi Wen,Guangdi Wang,Shihao Qian,Sun Yan
Abstract C16H30O5, monoclinic, P21 (no. 4), a = 5.6814(5) Å, b = 13.0181(12) Å, c = 22.833(2) Å, β = 96.473(2)°, V = 1677.9(3) Å3, Z = 4, R gt (F) = 0.0508, wRref (F 2) = 0.1346, T = 296(2) K.
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Crystal structure of the dihydrate of tetraethylammonium 1,3,5-thiadiazole-5-amido-2-carbamate, C11H27N5O4S Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-20 Xiaoke Tan,Xin Zhu
Abstract C11H27N5O4S, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.8359 (2) Å, b = 8.6966 (3) Å, c = 12.9907(4) Å, α = 92.047 (2)°, β = 92.041 (2)°, γ = 96.087 (2)°, V = 879.02 (5) Å3, Z = 2, R gt (F) = 0.0412, wR ref (F 2) = 0.1265, T = 298 K.
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Crystal structure of 3-phenylpropyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-20 Li-li Wang,De-dong Xue
Abstract C23H24O3, orthorhombic, P212121 (no 19), a = 5.7576(2) Å, b = 7.7223(4) Å, c = 41.6710(16) Å, V = 1852.77(14) Å3, Z = 4, R gt(F) = 0.0442, wR ref(F 2) = 0.1068, T = 170 K.
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The crystal structure of (4-fluorophenyl)(5-(hydroxymethyl)furan-2-yl)methanol, C12H11FO3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-20 Yanrong Gao,Hui Ran,Wenqiang Tang
Abstract C12H11FO3, monoclinic, P21/c (no. 14), a = 12.0648(9) Å, b = 8.3896(5) Å, c = 10.5727(9) Å, β = 104.204(8)°, V = 1037.44(14) Å3, Z = 4, R gt (F) = 0.0614, wR ref (F 2) = 0.1516, T = 293 K.
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The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-18 Marie Barbara Wolke,Guido J. Reiss
Abstract C10H16N2SnCl6, monoclinic, I2 (no. 5), a = 14.0477(4) Å, b = 8.9140(2) Å, c = 27.6199(6) Å, β = 93.060(2)°, Z = 8, V = 3453.67(15) Å3, R gt (F) = 0.0395, wR ref = 0.0858, T = 290 K.
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The crystal structure of 2-(3,6-di-tert-butyl-1,8-diiodo-9H-carbazol-9-yl)acetonitrile, C22H24I2N2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-15 Lin-Li Tang,Fei Zeng
Abstract C22H24I2N2, orthorhombic, Pbca (no. 33), a = 21.069(4) Å, b = 8.7963(17) Å, c = 23.757(5) Å, V = 4402.8(15) Å3, Z = 8, R gt (F) = 0.0530, wR ref (F 2) = 0.1569, T = 296(2) K. CCDC no.: 2153325
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The crystal structure of 3-(4-chlorophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23ClO2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-15 Jun Zheng,Sen Liu,Yaru Zhang,Xianqiang Huang
Abstract C25H23ClO2, orthorhombic, P212121, a = 5.5648(5) Å, b = 17.6062(15) Å, c = 21.5033(19) Å, V = 2106.8(3) Å3, Z = 4, R gt (F) = 0.0529, wR ref (F 2) = 0.1371, T = 298 K.
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Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-15 Wei Wei,Qiong Wu,Tong-Yin Jin,Ya-Zhai Zhang,Zhao-Kun Xuan,Heng-Qiang Zhang
Abstract C28H23N3O2, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.6590(7) Å, b = 11.8598(12) Å, c = 12.4954(14) Å, α = 92.027(9)°, β = 99.837(9)°, γ = 93.597(8)°, V = 1114.9(2) Å3, Z = 2, R gt (F) = 0.0508, wR ref (F 2) = 0.1317, T = 293(2) K.
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The crystal structure of N-cyclohexyl-3-hydroxy-4-methoxybenzamide, C14H19NO3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-13 Jingxiao Zhang,Xiaoxiao Zhao,Chenyu Cai
Abstract C14H19NO3, monoclinic, Cc (no. 9), a = 11.1235(5) Å, b = 15.3724(5) Å, c = 8.1110(3) Å, β = 109.3980(10)°, V = 1308.21(9) Å3, Z = 4, R gt (F) = 0.0300, wR ref (F 2) = 0.0703, T = 170 K.
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The crystal structure of (E)-3-(2-chlorophenyl)-1-ferrocenylprop-2-en-1-one, C19H15ClFeO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-12 Lilei Zhang,Mengru Xie
Abstract C19H15ClFeO, triclinic, P 1 ‾ $P\bar{1}$ (no. 2), a = 10.2693(5) Å, b = 11.2568(6) Å, c = 20.8930(10) Å, α = 80.350(2)°, β = 76.9640(10)°, γ = 86.921(2)°, V = 2319.4(2) Å3, Z = 6, R gt (F) = 0.0534, wR ref(F 2) = 0.0968, T = 170 K.
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The crystal structure of N-cyclopentyl-3-hydroxy-4-methoxybenzamide, C13H17NO3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-12 Jingxiao Zhang,Shubin Guo,Yongnan Guo,Yanliang Yang
Abstract C13H17NO3, monoclinic, Cc (no. 9), a = 11.6502(8) Å, b = 13.8752(8) Å, c = 7.9644(5) Å, β = 106.051(2)°, V = 1237.25(14) Å3, Z = 4, R gt (F) = 0.0427, wR ref(F 2) = 0.1023, T = 170 K.
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Crystal structure of 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol from Arundina graminifolia, C22H20O4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-12 Mei-Feng Liu,Xing-Yu Zhang,Yi-Mei Du,Yan Chen
Abstract C22H20O4, orthorhombic, P212121 (no. 19), a = 11.355(5) Å, b = 15.084(7) Å, c = 20.078(9) Å, V = 3439(3) Å3, Z = 4, R gt (F) = 0.0382, wR ref (F 2) = 0.0994, T = 296(2) K.
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Crystal structure of 5-nitroquinazolin-4(3H)-one, C8H5N3O3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-08 Lei Shi,Yu-Jiang Wang,Jun-Chao An,Bin Li,Ji Hu
Abstract C8H5N3O3, monoclinic, P21/c (no. 14), a = 9.1778(16) Å, b = 7.0270(10) Å, c = 12.518(2) Å, β = 92.930(6)°, V = 806.3(2) Å3, Z = 4, R gt(F 2) = 0.0469, wR ref (F 2) = 0.1353, T = 298 K.
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The cocrystal 2-(dimethylammonio)-5-nitrobenzoate – 2-(dimethylamino)-5-nitrobenzoic acid, C9H10N2O4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-07 Jianqiang Cui,Jing Men,Bin Liu
Abstract C9H10N2O4, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.722(2) Å, b = 10.805(2) Å, c = 10.947(2) Å, α = 67.938(4)°, β = 66.250(4)°, γ = 72.978(4)°, V = 961.8(3) Å3, Z = 4, R gt (F) = 0.0421, wR ref (F 2) = 0.1339, T = 173 K.
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The crystal structure of 2-(benzhydryloxy)-3-nitropyridine, C18H14N2O3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-06 Zhi-Qiang Lu
Abstract C18H14N2O3, monoclinic, P21/n (no. 14), a = 8.1644(3) Å, b = 14.5766(6) Å, c = 12.9462(4) Å, β = 91.902(3)°, V = 1539.87(10) Å3, Z = 4, R gt (F) = 0.0456, ωRref (F 2) = 0.1400, T = 293(2) K.
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Crystal structure of 3,6-di-tert-butyl-1-iodo-9-methyl-8-(pyren-1-ylethynyl)-9H-carbazole, C39H34IN Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-06 Xin Hu,Guo-Kai Jia,Man-Hua Ding
Abstract C39H34IN, monoclinic, P21/m (no. 11), a = 11.651(2) Å, b = 7.0023(14) Å, c = 18.716(4) Å, β = 97.5°, V = 1513.8(5) Å3, Z = 2, R gt(F) = 0.0410, wR ref(F 2) = 0.1056, T = 296(2) K.
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The crystal structure of 1,3(4,1)-dipyridin-1-iuma-2(1,8)-diethynylanthracena-5(1,3)-benzenacyclohexaphane-11,31-diium bis(hexafluoridophosphate), C36H24F12N2P2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-06 Xia Hu,Fei Zeng
Abstract C36H24F12N2P2, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 8.218(7) Å, b = 10.384(9) Å, c = 19.908(17) Å, α = 96.402(12)°, β = 91.216(12)°, γ = 101.161(12)°, V = 1655(2) Å3, Z = 2, R gt (F) = 0.0685, wR ref (F 2) = 0.2188, T = 296(2) K.
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Crystal structure of (Z)-4-(furan-2-yl((4-iodophenyl)amino)methylene)-5-methyl-2(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one, C21H16I N3O2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-05 Zhang Li,Wu Qiong,Tong-Yin Jin,Ya-Zhai Zhang,Xiao-Zhong Wang,Heng-Qiang Zhang
Abstract C21H16I N3O2, monoclinic, P21/c (no. 14), a = 12.7439(9) Å, b = 11.8391(8) Å, c = 13.4459(7) Å, β = 99.803(5)°, V = 1999.0(2) Å3, Z = 4, R gt (F) = 0.0365, wR ref (F 2) = 0.0905, T = 293(2) K.
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Crystal structure of 6-bromo-2-(4-chlorophenyl)chroman-4-one (6-bromo-4′-chloroflavanone), C15H10BrClO2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-05 Marole M. Maluleka,Malose J. Mphahlele
Abstract C15H10BrClO2 monoclinic P21/c (no. 14), a = 9.2173(6) Å, b = 20.7174(14) Å, c = 6.9035(4) Å, β = 99.332(3)°, V = 1300.83(14) Å3, Z = 4, Rgt (F) = 0.0153, wRref (F 2) = 0.121, T = 173(2) K.
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The crystal structure of cobalt cadmium bis(hydrogenphosphate) bis(phosphate(V)) tetrahydrate, H10O20P4Co3.14Cd1.86 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-04 Xiu-Hua Zhang,Jin-Xiao Mi,Zhi-Biao Hu,Ze-Hai Qiu,Wu-Hua Chen
Abstract H10O20P4Co3.14Cd1.86, monoclinic, C2/c (no. 15), a = 17.5779(6) Å, b = 9.0747(3) Å, c = 9.4946(3) Å, β = 96.636(3)°, V = 1504.38(9) Å3, Z = 1, R gt (F) = 0.0273, wR ref (F 2) = 0.0646, T = 293(2) K.
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Crystal structure of diethyl 4,6-diphenyl-1,9-di-p-tolylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,5(2H)-dicarboxylate, C42H42N2O4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-04 Shuai Fan,Qian Zhang,Xu-Dong Lv,Yuan-Yuan Jin,Zhao-Yong Yang
Abstract C42H42N2O4, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.309(3) Å, b = 14.191(5) Å, c = 14.918(5) Å, α = 69.221(4)°, β = 82.384(5)°, γ = 72.805(4)°, V = 1759.3(10) Å3, Z = 2, R gt (F) = 0.0699, wR ref (F 2) = 0.1806, T = 296 K.
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Crystal structure of (E)-1-(4-(3,5-dimethoxystyryl)phenyl)-7-ethylheptanedioate, C25H30O6 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-04 Lilei Zhang,Jiamin Hu,Yumeng Qiao
Abstract C25H30O6, orthorhombic, Pna21 (no. 33), a = 7.556(2) Å, b = 37.198(12) Å, c = 8.113(2) Å, V = 2280.2(11) Å3, Z = 4, R gt (F) = 0.0610, wR ref (F 2) = 0.1634, T = 170 K.
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Crystal structure of dimethyl 1,4,6,9-tetraphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,7(2H)-dicarboxylate, C38H34N2O4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-04-04 Yin-Xin Wang,Si-Qi Geng,Jia-Rui Qin,Wen-Li Zhang,Qi-Di Zhong
Abstract C38H34N2O4, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.1158(19) Å, b = 11.302(2) Å, c = 12.634(2) Å, α = 72.109(2)°, β = 77.410(2)°, γ = 82.648(3)°, V = 1362.4(5) Å3, Z = 2, R gt (F) = 0.0473, wR ref (F 2) = 0.1738, T = 296 K.
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The crystal structure of (E)-1-ferrocenyl-3-(naphthalen-1-yl)prop-2-en-1-one, C23H18FeO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-24 Jingxiao Zhang,Fengge Gao,Linyue Qi,Xia Yin
Abstract C23H18FeO, orthorhombic, Pna21 (no. 33), a = 28.3217(11) Å, b = 5.7477(2) Å, c = 10.3071(3) Å, β = 90°, V = 1677.84(10) Å3, Z = 4, R gt (F) = 0.0372, wR ref (F 2) = 0.0713, T = 150 K.
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The crystal structure of (2E,4E)-1-ferrocenyl-5-phenylpenta-2,4-dien-1-one, C21H18FeO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-24 Jingxiao Zhang,Xuezhen Huang
Abstract C21H18FeO, monoclinic, P21/c (no. 14), a = 5.8577(3) Å, b = 11.2160(5) Å, c = 24.1507(11) Å, β = 92.803(2)°, V = 1584.80(13) Å3, Z = 4, R gt (F) = 0.0383, wRref (F 2) = 0.0755, T = 170 K.
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The crystal structure of poly[diaqua-(μ3-5-nitrobenzene-1,2,3-tricarboxylato-κ 3 O:O′:O′)-(μ2-4,4′-dipyridylamine-κ 2 N:N′)copper(II)], C38H30Cu3N8O20 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-24 Dong-Feng Hong,Ye Chen,Wen-Li Zhu
Abstract C38H30Cu3N8O20, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.2659(3) Å, b = 11.7245(3) Å, c = 12.6837(4) Å, α = 77.466(3)°, β = 73.915(3)°, γ = 75.794(3)°, V = 993.50(6) Å3, Z = 1, R gt (F) = 0.0334, wR ref (F 2) = 0.0842, T = 291 K.
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The crystal structure of (E)-1-ferrocenyl-3-(4-isopropylphenyl)prop-2-en-1-one, C22H22FeO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-23 Jingxiao Zhang,Xiangjie Hu,Xianghui Liu,Yifan He
Abstract C22H22FeO, monoclinic, P21 (no. 4), a = 10.204(3) Å, b = 5.7956(16) Å, c = 14.591(4) Å, β = 97.876(10)°, V = 854.7(4) Å3, Z = 2, R gt (F) = 0.0676, wR ref (F 2) = 0.1647, T = 170 K.
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Crystal structure of catena-poly[aqua-bis[μ 2-6-(1H-imidazol-1-yl)nicotinato-κ2 N,O]copper(II)], C18H14N6O5Cu Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-23 Dong-Feng Hong,Meng-Fei Li,Tian-Tian Chu
Abstract C18H14N6O5Cu, monoclinic, C2/c (no. 15), a = 14.1337(5) Å, b = 5.8568(2) Å, c = 21.2295(6) Å, β = 105.074(3)°, V = 1696.87(10) Å3, Z = 4, R gt (F) = 0.0239, wR ref (F 2) = 0.0603, T = 293 K.
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Crystal structure of alaninato-κ2 N,O-bis(hydroxylamido-κ2 N,O)-oxido-vanadium(V), C3H10N3O5V Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-23 Heng-Qiang Zhang,Xia Juan,Xu Ning,Fu-Jian Fang,Xin Yang,Xiu-Jun Zheng
Abstract C3H10N3O5V, monoclinic, P21/c (no. 14), a = 5.487(2) Å, b = 7.611(3) Å, c = 19.629(8) Å, β = 101.269(11)°, V = 803.9(5) Å3, Z = 4, R gt (F) = 0.0375, wR ref(F 2) = 0.0866, T = 293(2) K.
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Crystal structure of 6-hydroxy-2,2-dimethyl-4Hbenzo[d][1,3]dioxin-4-one, C10H10O4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-23 Wenqiang Tang,Xiaona Xu,Yanrong Gao,Hongjuan Tong,Zhoujing Zhu,Bin Liu
Abstract C10H10O4, monoclinic, P21/c (no. 14), a = 9.464(6) Å, b = 10.302(7) Å, c = 10.589(7) Å, β = 114.174(11)°, V = 941.8(10) Å3, Z = 4, R gt (F) = 0.0453, wR ref(F 2) = 0.1394, T = 173 K.
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Crystal structure of 2,6-di-tert-butyl-4-(4-chlorobenzylidene)cyclohexa-2,5-dien-1-one, C21H25ClO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Yue Ding,Hongying Wang,Qin Zheng,Jiaojie Guo,Guangbo Zhang,Jing Wang,Xiumin Wang,Haibo Guo
Abstract C21H25ClO, orthorhombic, Pna21 (no. 33), a = 14.152(2) Å, b = 22.112(3) Å, c = 6.0109(7) Å, V = 1880.9(4) Å3, Z = 4, R gt (F) = 0.0586, wR ref(F 2) = 0.1227, T = 150 K.
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Crystal structure of bis(tetrapropylammonium) nonaselenidotetrastannate(IV), (Pr4N)2[Sn4Se9] Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Kang–Woo Kim
Abstract C24H56N2Sn4Se9, monoclinic, P21/n (no. 14), a = 15.3276(10) Å, b = 19.0577(15) Å, c = 15.3980(11) Å, β = 97.947(3)°, V = 4454.7(6) Å3, Z = 4, R gt (F) = 0.0313, wR ref(F 2) = 0.0686, T = 223 K.
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Crystal structure of 4-Hydroxy-3-(naphthalen-2-ylthio)pent-3-en-2-one, C15H14O2S Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Ya-Xin Wen,Ya-Fei Guo,Le Dong,Jun-Ying Ma,Bing-You Fan
Abstract C15H14O2S, monoclinic, P21/c (no. 14), a = 13.5881(11) Å, b = 7.3129(9) Å, c = 13.3284(11) Å, β = 96.125(7)°, V = 1316.9(2) Å3, Z = 4, R gt (F) = 0.0570, wR ref(F 2) = 0.1402, T = 293 K.
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The crystal structure of tetrakis(6-phenylpyridine-2-carboxylato-κ2N,O)-bis(1H-pyrazol-3-ylamine-κ2 N:N)dicobalt(II) dihydrate, C27H23N5O5Co Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Gao Xiang,Tai Xi-Shi
Abstract C27H23N5O5Co, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 8.6503(7) Å, b = 11.1188(8) Å, c = 13.2711(11) Å, α = 79.185(7)°, β = 71.970(7)°, γ = 87.951(6)°, V = 1191.85(17) Å3, Z = 2, R gt (F) = 0.0450, wR ref (F 2) = 0.1143, T = 200 K.
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Crystal structure of (2,2′-((naphthalen-1-ylmethyl)azanediyl)diacetato-κ3 N,O,O′)-(1,10-phenanthroline-κ2 N,N′)-copper(II) trihydrate, CuC27H27N3O7 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Xingman Xu,Renqiang Sun
Abstract CuC27H27N3O7, orthorhombic, Pca21 (no. 29), a = 22.9142(18) Å, b = 7.3271(6) Å, c = 14.7386(11) Å, V = 2474.5(3) Å3, Z = 4, R gt (F) = 0.0443, wR ref (F 2) = 0.0990, T = 294(2) K.
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The crystal structure of (Z)-4-bromo-6-(((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)methylene)cyclohexa-2,4-dien-1-one monohydrate, C11H16BrNO5 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Hai-Bo Qin,Ke-Xiang Liu,Xu Fan,Zhong-Yan Li,Lin Yuan
Abstract C11H16BrNO5, monoclinic, P21/c (no. 14), a = 15.164(7) Å, b = 11.798(5) Å, c = 7.359(3) Å, β = 90.792°, V = 1316.4(10) Å3, Z = 4, R gt (F) = 0.0322, wR ref (F 2) = 0.0797, T = 296(2) K.
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The crystal structure of bis((E)-2-((tert-butylimino)methyl)-4-chlorophenolato-κ2 N,O)zinc(II), C22H26Cl2N2O2Zn Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-22 Qian-Zhi Yang,Yu-Xin Yang,Jin-Hao Kuang,Zhong-Yan Li,Lin Yuan
Abstract C22H26Cl2N2O2Zn, monoclinic, P21/n (no. 14), a = 10.488(7) Å, b = 10.139(7) Å, c = 22.760(15) Å, β = 99.705°, V = 2386(3) Å3, Z = 4, R gt (F) = 0.0395, wR ref (F 2) = 0.1053, T = 296(2) K.
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The crystal structure of (E)-1-(4-aminophenyl)-3-(p-tolyl)prop-2-en-1-one, C16H15NO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-17 Jingxiao Zhang,Jinyu Lv,Jiajia Wang
Abstract C16H15NO, monoclinic, P21/c (no. 14), a = 5.9233(3) Å, b = 14.5788(9) Å, c = 14.7095(9) Å, β = 99.073(2)°, V = 1254.34(13) Å3, Z = 4, Rgt (F) = 0.0600, wRref (F 2) = 0.1512, T = 170 K.
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The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)cobalt(II)–water–N,N-dimethylformamide(1/2/1), C27H31N3O9Co Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-16 Xiang Gao,Xi-Shi Tai
Abstract C27H31N3O9Co, monoclinic, P21/n (no. 14), a = 10.9230(6) Å, b = 11.1166(8) Å, c = 22.8312(15) Å, β = 93.404(6)°, V = 2767.4(3) Å3, Z = 4, R gt (F) = 0.0349, wR ref (F 2) = 0.0893, T = 200 K.
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The co-crystal structure of 4-hydroxy-3-methoxybenzoic acid – 4,4′-bipyridine, C8H8O4·C10H8N2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-16 Devin J. Angevine,Jason B. Benedict
Abstract C8H8O4·C10H8N2, monoclinic, P21/c (no. 14), a = 13.427(4) Å, b = 10.069(3) Å, c = 12.751(4) Å, β = 116.124(7)°, V = 1547.7(8) Å3, Z = 4, R gt (F) = 0.0426, wR ref (F 2) = 0.1152, T = 90 K.
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The crystal structure of poly[(μ2-terephthalato-κ4 O,O′: O″,O‴)-(μ4-terephthalato-κ4 O:O′:O″:O‴)-{μ4-(1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ4 O:O′:O″,O‴)}dicadmium(II)] – water – acetronitrile (1/2/2), C38H36N14O10Cd2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-16 Hua-Rui Wang
Abstract C38H36N14O10Cd2, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 10.220(2) Å, b = 10.685(2) Å, c = 10.777(2) Å, α = 84.18(3)°, β = 72.02(3)°, γ = 75.28(3)°, V = 1082.3(4) Å3, Z = 1, R gt (F) = 0.0268, wR ref (F 2) = 0.0732, T = 293(2) K.
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Crystal structure of (E)-5-propyl-4-((pyridin-2-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione – methanol (1/1), C11H13N5S Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-16 Huijuan Jia,Zhen Dong,Xiaoyan Qin,Yiying Song,Zhibin Zhou,Caixia Yuan
Abstract C11H13N5S, monoclinic, P21/c (no. 14), a = 7.2720(14) Å, b = 11.631(2) Å, c = 17.031(3) Å, β = 95.12(3)°, V = 1434.7(5) Å3, Z = 4, R gt (F) = 0.0353, wR ref (F 2) = 0.0953, T = 293 K.
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Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2 N:N′)-bis(4-bromobenzoate-κ1 O)cobalt(II)], C32H22Br2CoN4O4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-16 Xin Zhuo
Abstract C32H22Br2CoN4O4, monoclinic, P21/c (no. 4), a = 6.5529(11) Å, b = 24.375(4) Å, c = 18.379(3) Å, β = 97.491(3)°, V = 2910.6(8) Å3, Z = 4, R gt (F) = 0.0404, wR ref (F 2) = 0.1268, T = 296(2) K.
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Crystal structure of 3,3′-(pyridine-2,6-diylbis(methylene))bis(1-propyl-1H-imidazol-3-ium) ditetrafluoroborate, C19H27B2F8N5 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-16 David O. Ywaya,Holger B. Friedrich,Muhammad D. Bala,Lynette Soobramoney,Halliru Ibrahim
Abstract C19H27N5, orthorhombic Pbca (no. 61), a = 9.8515(12) Å, b = 16.508(2) Å, c = 29.817(3) Å, β = 90°, V = 4849.3(10) Å3, Z = 8, R gt (F) = 0.0409, wR ref(F 2) = 0.1082.
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The crystal structure of [(1,10-phenanthroline-κ2 N,N)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)nickel(II)] monohydrate, C36H26N4O5Ni Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-15 Li-Hua Wang,Xi-Shi Tai,Xiu-Jie Ren
Abstract C36H26N4O5Ni, orthorhombic, P212121 (no. 19), a = 10.5860(9) Å, b = 10.6497(6) Å, c = 26.4492(15) Å, β = 90°, V = 2981.8(3) Å3, Z = 4, R gt (F) = 0.0341, wR ref (F 2) = 0.0703, T = 200 K.
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Crystal structure of (E)-(4-imidazol-1-yl-phenyl)-(2-methoxy-benzylidene)-amine monohydrate, C17H17N3O2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-10 Lufei Xiao,Jie Li,Qirui Liang,Jie Liu
Abstract C17H17N3O2, monoclinic, P21/c (no. 14), a = 10.655(5) Å, b = 5.056(5) Å, c = 28.712 Å, β = 99.034(1)°, V = 1527.6(17) Å3, Z = 4, R gt (F) = 0.0520, wR ref(F 2) = 0.1611, T = 298(2) K.
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Crystal structure of 3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanoacridin-9-yl)-1H-pyrazole-4-carboxamide monohydrate, C23H26F2N4O3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-08 Liang Zhong,Jiu-Long Wang,Shuang-Shi Zhu,Shang-Xing Chen,Da-Yong Peng
Abstract C23H26F2N4O3, orthorhombic, P212121 (no. 19), a = 11.6524(10) Å, b = 11.9777(10) Å, c = 15.9058(13) Å, V = 2220.0(3) Å3, Z = 4, R gt (F) = 0.0305, wR ref (F 2) = 0.0751, T = 296(2) K.
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Crystal structure of (E)-1-(2–nitrophenyl)-3-phenylprop-2-en-1-one, C15H11NO3 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-07 Marole M Maluleka,Malose J Mphahlele
Abstract C15H11NO3, P21/c (no. 14), a = 5.4092(2) Å, b = 23.9605(8) Å, c = 9.4887(3) Å, β = 96.080(1)°, V = 1222.89(7) Å3, Z = 4, R gt(F) = 0.0358, wR ref(F 2) = 0.0888, T = 173(2) K.
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Crystal structure of 4-methyl-4-nitropentanoic acid, C6H11NO4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-07 Hongjuan Tong,Wenqiang Tang
Abstract C6H11NO4, monoclinic, P21/c (no. 14), a = 19.1903(7) Å, b = 18.4525(6) Å, c = 9.2197(3) Å, β = 95.879(1)°, V = 3247.61(19) Å3, Z = 16, Rgt (F) = 0.0495, wRref (F 2) = 0.1194, T = 173 K.
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Crystal structure of (E)-amino(2-(thiazol-2-ylmethylene)hydrazineyl)methaniminium nitrate, C10H16N12O6S2 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-07 Ze-Sen Jin,E. Liu,Xiao-jing Liu,Zhuang-yu Li,Fang-fang Jian,Tongling Liang
Abstract C10H16N12O6S2, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.6977(2) Å, b = 11.5353(3) Å, c = 11.7533(3) Å, α = 67.973(2)°, β = 87.916(2)°, γ = 88.347(2)°, V = 966.69(5) Å3, Z = 2, R gt (F) = 0.0290, wR ref (F 2) = 0.0818, T = 170K.
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The crystal structure of (E)-3-(furan-2-yl)acrylonitrile, C7H5NO Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-07 Lilei Zhang,Tianyu Mi
Abstract C7H5NO, monoclinic, P21/n (no. 14), a = 3.7589(5) Å, b = 19.493(2) Å, c = 8.4180(10) Å, V = 601.98(13) Å3, Z = 4, R gt (F) = 0.0502, wR ref (F 2) = 0.1274, T = 170 K.
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The crystal structure bis(dimethylsulfoxide-κ1O)-dipyridine-κ1 N-bis(m2-(Z)-3-methyl-2-oxido-N-((Z)-oxido(phenyl)methylene)benzohydrazonato-κ5)trinickel(II) - dimethylsulfoxide (1/2), C48H56N6Ni3O10S4 Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-07 Liguo Yang,Xin Wang,Kun Zou,Shuige Hu,Xiaozhen Liu
Abstract C48H56N6Ni3O10S4, monoclinic, P21 (no. 4), a = 12.3887(11) Å, b = 15.7405(13) Å, c = 13.4254(11) Å, β = 97.364(2)°, V = 2596.4(4) Å3, Z = 2, R gt (F) = 0.0530, wR ref (F 2) = 0.1316, T = 298 K.
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Crystal structure of bis(bis(triphenylphosphine)iminium) tetradecacarbonyltetratelluridopentaferrate(2-), (PPN)2[Fe5Te4(CO)14] Z. Kris. New Cryst. Struct. (IF 0.3) Pub Date : 2022-03-07 Kang-Woo Kim,Hyoyi Yang
Abstract C86H60O14N2P4Fe5Te4, triclinic, P 1 ‾ $P\overline{1}$ (No. 2), a = 13.6807(7) Å, b = 18.5116(11) Å, c = 19.3210(10) Å, α = 78.170(2)°, β = 70.1007(18)°, γ = 70.5341(19)°, V = 4314.7(4) Å3, Z = 2, R gt (F) = 0.0411, wR ref (F 2) = 0.1234, T = 223 K.