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Syntheses and structures of three macrocyclic supramolecular complexes and one ZnII‐containing coordination polymer generated from a semi‐rigid multidentate N‐containing ligand Acta Cryst. C (IF 1.09) Pub Date : 2020-12-16 Xiang-Long Niu; Lin Wei; Jian-Cheng Liu; Wan-He Jia; Jian-Ping Ma; Lei Wang; Jian-Cheng Wang; Yu-Bin Dong
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Conformational polymorphs of 3‐cyclopropyl‐5‐(3‐methyl‐[1,2,4]triazolo[4,3‐a]pyridin‐7‐yl)‐1,2,4‐oxadiazole Acta Cryst. C (IF 1.09) Pub Date : 2020-12-04 Svitlana V. Shishkina; Irina S. Konovalova; Svitlana S. Kovalenko; Lyudmila L. Nikolaeva; Natalya D. Bunyatyan; Sergiy M. Kovalenko
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The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1‐benzoyl‐3‐(halogenophenyl)thioureas Acta Cryst. C (IF 1.09) Pub Date : 2020-12-04 Damian Rosiak; Andrzej Okuniewski; Jarosław Chojnacki
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Synthesis, crystal structure, and electronic structure of Li2PbSiS4: a quaternary thiosilicate with a compressed chalcopyrite‐like structure Acta Cryst. C (IF 1.09) Pub Date : 2020-12-04 Stanislav S. Stoyko; Andrew J. Craig; Joshua W. Kotchey; Jennifer A. Aitken
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First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study Acta Cryst. C (IF 1.09) Pub Date : 2020-11-05 Alsafi, M.A.; Hughes, D.L.; Said, M.A.
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Crystal structure of a calcium(II)–pyrroloquinoline quinone (PQQ) complex outside a protein environment Acta Cryst. C (IF 1.09) Pub Date : 2020-11-05 Lumpe, H.; Mayer, P.; Daumann, L.J.
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Removing the C‐terminal protecting group enlarges the crystal size: Z–(Gly–Aib)2–OH·H2O Acta Cryst. C (IF 1.09) Pub Date : 2020-11-09 Renate Gessmann; Hans Brückner; Kyriacos Petratos
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Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin Acta Cryst. C (IF 1.09) Pub Date : 2020-11-09 Wen-Tong Chen
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Synthesis, crystal structure and luminescence properties of a new samarium borate phosphate, CsNa2Sm2(BO3)(PO4)2 Acta Cryst. C (IF 1.09) Pub Date : 2020-11-13 Dan Zhao; Lin-Ying Shi; Rui-Juan Zhang; Ya-Li Xue
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Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene‐2,6‐dicarboxylic acid: synthesis, structure and luminescence sensing Acta Cryst. C (IF 1.09) Pub Date : 2020-11-24 Yuxiang Zuo; Jie Yang; Cheng Chen; Yun-Shan Xue; Jun Zhang
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Dibenzoate esters of cis‐tetralin‐2,3‐diol as analogs of (–)‐epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Cryst. C (IF 1.09) Pub Date : 2020-11-24 Ryan Noboru Rutherford; Shinji Ura; Tak-Hang Chan; Kozo Fukumoto; Takanori Nishioka; Andrea Renzetti
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A two‐dimensional organic–inorganic lead iodide perovskite: poly[bis(3‐fluorocyclobutylammonium) [di‐μ‐iodido‐diiodidoplumbate(VI)]] Acta Cryst. C (IF 1.09) Pub Date : 2020-11-25 Chao-Ran Huang; Peng-Fei Li; Xu-Zhong Luo
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Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality Acta Cryst. C (IF 1.09) Pub Date : 2020-11-25 Wenkang Ye; Weiyi She; Herman H.-Y. Sung; Peiyuan Qian; Ian D. Williams
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(E)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism Acta Cryst. C (IF 1.09) Pub Date : 2020-10-08 Mason, H.E.; Howard, J.A.K.; Sparkes, H.A.
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Platinum(II) complex with 4‐nitro‐N‐(pyridin‐2‐ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity Acta Cryst. C (IF 1.09) Pub Date : 2020-10-19 Mehdi Khalaj; Abolfazl Olyaei; Mahdieh Sadeghpour; Arash Lalegani; Janusz Lipkowski; Alan J. Lough
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Crystal structures of salts of bedaquiline Acta Cryst. C (IF 1.09) Pub Date : 2020-10-19 Okezue, M.; Smith, D.; Zeller, M.; Byrn, S.R.; Smith, P.; Bogandowich-Knipp, S.; Purcell, D.K.; Clase, K.L.
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Two new CdII MOFs of 1,4‐bis(1H‐benzimidazol‐1‐yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe3+ Acta Cryst. C (IF 1.09) Pub Date : 2020-10-22 Fang-Hua Zhao; Shi-Yao Li; Wen-Yu Guo; Zi-Hao Zhao; Xiao-Wen Guo; Yu-Shuo Li; Sheng-Qing Fan; Zhong-Lin Li
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Crystal structure of monoclinic hafnia (HfO2) revisited with synchrotron X‐ray, neutron diffraction and first‐principles calculations Acta Cryst. C (IF 1.09) Pub Date : 2020-10-29 Santanu Pathak; Parnika Das; Tilak Das; Guruprasad Mandal; Boby Joseph; Manjulata Sahu; S. D. Kaushik; Vasudeva Siruguri
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Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V) Acta Cryst. C (IF 1.09) Pub Date : 2020-09-19 Thomas E. Shaw; Pierre LeMagueres; Alfred P. Sattelberger; Titel Jurca
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A new ladder‐type silver(I) coordination polymer with 4,4′‐bipyridine and 4‐[(4‐carboxybenzyloxy)methyl]benzoate ligands: synthesis, crystal structure, fluorescence properties and Hirshfeld surface analysis Acta Cryst. C (IF 1.09) Pub Date : 2020-09-19 Zhao Chen; Zilong Zhang; Chong Zhang; Yu Xiao
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Two new polymorphic forms of combretastatin A‐4, an antitumour agent Acta Cryst. C (IF 1.09) Pub Date : 2020-09-22 Anita M. Grześkiewicz; Tomasz Stefański; Zbigniew Dutkiewicz; Daria Buśko; Maciej Kubicki
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Crystal structure, thermal properties and detonation characterization of bis(5‐amino‐1,2,4‐triazol‐4‐ium‐3‐yl)methane dinitrate Acta Cryst. C (IF 1.09) Pub Date : 2020-09-23 Hongya Li; Biao Yan; Haixia Ma; Xiangrong Ma; Zhiyong Sun; Yajun Ma
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Structures of five salt forms of disulfonated monoazo dyes Acta Cryst. C (IF 1.09) Pub Date : 2020-09-23 Gardner, H.C.; Kennedy, A.R.; McCarney, K.M.; Staunton, E.; Stewart, H.; Teat, S.J.
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The effect of cation–π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study Acta Cryst. C (IF 1.09) Pub Date : 2020-09-29 Fahimeh Alirezapour; Azadeh Khanmohammadi
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When solvent becomes reactant: a study of 6‐aminothiocytosine derivatives Acta Cryst. C (IF 1.09) Pub Date : 2020-09-29 Anita M. Grześkiewicz; Agata Ostrowska; Dmytro Borzylo; Maciej Kubicki
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A new P,S-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with PdII and PtII. Corrigendum Acta Cryst. C (IF 1.09) Pub Date : 2020-09-30 Mouas, T. N.; Daran, J.-C.; Merazig, H.; Manoury, E.
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4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-13 Diego Rodríguez,Sergio Andrés Guerrero,Alirio Palma,Justo Cobo,Christopher Glidewell
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Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-21 Tamira Eckhardt,Richard Goddard,Christoph Lehmann,Adrian Richter,Henok Asfaw Sahile,Rui Liu,Rohit Tiwari,Allen G Oliver,Marvin J Miller,Rüdiger W Seidel,Peter Imming
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Synthesis and structures of three isoxazole-containing Schiff bases. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-29 Helen E Mason,Judith A K Howard,Hazel A Sparkes
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Chemistry of transition-metal complexes containing functionalized phosphines: synthesis and structural analysis of rhodium(I) complexes containing allyl and cyanoalkylphosphines. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-30 Reinaldo Atencio,Gustavo Chacón,Lisbeth Mendoza,Teresa González,Julia Bruno-Colmenarez,Merlin Rosales,Briceño Alexander,Edgar Ocando-Mavárez
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Revisiting the absolute chirality and polymorphism of (-)-Istanbulin A. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-28 Luz Arancibia,Mariana Naspi,Graciela Pucci,Maricel Rodriguez,Florencia Di Salvo
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Conformational polymorphism in a cobalt(II) dithiocarbamate complex. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-28 Jetnipat Songkerdthong,Phimphaka Harding,David J Harding
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Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn5(μ3-OH)2 cluster and a 2D layered coordination network with a [Zn3(μ3-OH)]2 SBU. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-21 Hijazi Abu Ali,Mohanad Darawsheh
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Crystal structure, thermal behaviour and detonation characterization of bis(4,5-diamino-1,2,4-triazol-3-yl)methane monohydrate. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-14 Biao Yan,Hongya Li,Haixia Ma,Xiangrong Ma,Zhiyong Sun,Yajun Ma
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Synthesis, structure and in vitro cytotoxicity testing of some 2-aroylbenzofuran-3-ols. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-13 Nguyen Tien Cong,Huynh Thi Xuan Trang,Pham Duc Dung,Tran Hoang Phuong,Vu Quoc Trung,Nguyen Dang Dat,Dang Thi Tuyet Anh,Nguyen Van Tuyen,Luc Van Meervelt
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Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba2ZnP2. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-10 Adam Balvanz,Sviatoslav Baranets,Svilen Bobev
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A novel three-dimensional tetranuclear CoII coordination polymer with water hexamers based on the V-shaped tetracarboxylate ligand 4-(2,4-dicarboxylatophenoxy)phthalate. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-07 Shao Dong Li,Feng Su,Miao Li Zhu,Li Ping Lu
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Crystal structure and characterization of magnesium carbonate chloride heptahydrate. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-08 Christine Rincke,Horst Schmidt,Gernot Buth,Wolfgang Voigt
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Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-22 Pablo Romo,Jairo Quiroga,Justo Cobo,Christopher Glidewell
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A twofold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-05 Ning Ning Chen,Chen Zhang,Jian Qing Tao
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Structural analysis of interpenetrated methyl-modified MOF-5 and its gas-adsorption properties. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-05 Koh Sugamata,Daichi Yanagisawa,Keiko Awano,Teruyuki Iihama,Mao Minoura
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A rare octacoordinated mononuclear iron(III) spin-crossover compound: synthesis, crystal structure and magnetic properties. Acta Cryst. C (IF 1.09) Pub Date : 2020-08-05 Xiaoyun Hao,Tong Cao,Yong Dou,Lu Yang,Zhen Zhou,Daopeng Zhang,Hongguo Hao
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Structural characterization of the derivatives of bis{[2,6-(dimethylamino)methyl]phenyl} selenide with palladium(II) and mercury(II). Acta Cryst. C (IF 1.09) Pub Date : 2020-07-30 Anand Gupta,Rajesh Deka,Ray J Butcher,Harkesh B Singh
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Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-30 Svitlana V Shishkina,Irina S Konovalova,Veronika R Karpina,Svitlana S Kovalenko,Sergiy M Kovalenko,Natalya D Bunyatyan
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Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dichloride. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-24 Hongya Li,Biao Yan,Haixia Ma,Xiangrong Ma,Zhiyong Sun,Yajun Ma
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Synthesis, crystal structure and docking studies of tetracyclic 10-iodo-1,2-dihydroisoquinolino[2,1-b][1,2,4]benzothiadiazine 12,12-dioxide and its precursors. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-24 Sherif O Kolade,Josephat U Izunobi,Eric C Hosten,Idris A Olasupo,Adeniyi S Ogunlaja,Oluwole B Familoni
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The different modes of chiral [1,2,3]triazolo[5,1-b][1,3,4]thiadiazines: crystal packing, conformation investigation and cellular activity. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-23 Konstantin L'vovich Obydennov,Tatiana Andreevna Kalinina,Olga Alexandrovna Vysokova,Pavel Alexandrovich Slepukhin,Varvara Alexandrovna Pozdina,Maria Valer'evna Ulitko,Tatiana Vladimirovna Glukhareva
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Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-23 Annie Cleetus,Gulshan Rani,G B Dharma Rao,Deepak Chopra
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A new langbeinite-type phosphate K2GdHf(PO4)3: synthesis, crystal structure, band structure and luminescence properties. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-22 Hua Nan,Li Chen,Rui Juan Zhang,Dan Zhao
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2-Chloro-4-nitrobenzoic acid as a coformer with pharmaceutical cocrystals and molecular salts. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-21 Andreas Lemmerer
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Supramolecular networks supported by the anion...π linkage of Keggin-type heteropolyoxotungstates. Acta Cryst. C (IF 1.09) Pub Date : 2020-07-21 Olha S Panteleieva,Vira V Ponomarova,Alexander V Shtemenko,Kostiantyn V Domasevitch
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