During evaporation of natural and synthetic K-Mg-Cl brines, the formation of almost square plate-like crystals of potassium carnallite (potassium chloride magnesium dichloride hexahydrate) was observed. A single-crystal structure analysis revealed a monoclinic cell [a = 9.251 (2), b = 9.516 (2), c = 13.217 (4) Å, β = 90.06 (2)° and space group C2/c]. The structure is isomorphous with other carnallite-type

Derivatives of pyrimidine-2(1H)-selenone are a group of compounds with very strong antimicrobial activity. In order to study the effect of the position of the methoxy substituent on biological activity, molecular geometry and intermolecular interactions in the crystal, three derivatives were prepared and evaluated with respect to their antimicrobial activities, and their crystal structures were determined

Recently, fluorenylmethoxycarbonyl (Fmoc) amino acids (e.g. Fmoc-tyrosine or Fmoc-phenylalanine) have attracted growing interest in biomedical research and industry, with special emphasis directed towards the design and development of novel effective hydrogelators, biomaterials or therapeutics. With this in mind, a systematic knowledge of the structural and supramolecular features in recognition of

Thalassemia is a genetic blood disorder requiring life-long blood transfusions. This process often results in iron overload and can be treated by an iron-chelating agent, like deferiprone (3-hydroxy-1,2-dimethylpyridin-4-one), C7H9NO2, in an oral formulation. The first crystal structure of deferiprone, (Ia), was reported in 1988 [Nelson et al. (1988). Can. J. Chem. 66, 123-131]. In the present study

Two europium(III) coordination polymers (CPs), namely, poly[[diaquabis(μ4-1H-benzimidazole-5,6-dicarboxylato-κ6N3:O5,O5':O5,O6:O6')(μ2-oxalato-κ4O1,O2:O1',O2')dieuropium(III)] dihydrate], {[Eu2(C9H4N2O4)2(C2O4)(H2O)2]·2H2O}n (1), and poly[(μ3-1H-benzimidazol-3-ium-5,6-dicarboxylato-κ5O5:O5',O6:O6,O6')(μ3-sulfato-κ3O:O':O'')europium(III)], [Eu(C9H5N2O4)(SO4)]n (2), have been synthesized via the hydrothermal

Luminescent cuprous complexes are an important class of coordination compounds due to their relative abundance, low cost and ability to display excellent luminescence. The heteroleptic cuprous complex solvate rac-(acetonitrile-κN)(3-aminopyridine-κN)[2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ2P,P']copper(I) hexafluoridophosphate dichloromethane monosolvate, [Cu(C5H6N2)(C2H3N)(C44H32P2)]PF6·CH2Cl2

Cocrystals of thiourea with 4-nitropyridine N-oxide, C5H4N2O3·2CH4N2S, (I), and 3-bromopyridine N-oxide, C5H4BrNO·CH4N2S, (II), crystallize in the monoclinic space group P21/c. In the crystals, molecules of both components are linked by N-H...O hydrogen bonds, creating R21(6) synthons. The bromine substituent of the N-oxide component in (II) is a centre for C-Br...S halogen bonding to the thiourea

The crystal structure, Hirshfeld surface analysis and spectroscopic analysis of a new polyoxometalate (POM) compound, namely, nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate, (C7H9NO)9[P2Mo5O23]2·3H2O, is reported. The title compound was synthesized using the solution method and was structurally characterized by single-crystal X-ray diffraction, which revealed P-1 symmetry. A study

The averages (average deviations from the mean are given in square brackets) of uncorrected Cl-O bond distances in a perchlorate anion from an X-ray diffraction analysis of (N-{2-[bis(pyridin-2-ylmethyl)amino]ethyl}pyridine-2-carboxamidato)(nitric oxide)manganese perchlorate acetonitrile disolvate, [Mn(C20H20N5O)(NO)]ClO4·2CH3CN or [Mn(PaPy3)(NO)]ClO4·2CH3CN, decrease from 1.447 [4] Å at 10 K to 1

Two new metal-organic frameworks (MOFs), namely, three-dimensional poly[diaquabis{μ2-1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene}bis(μ2-glutarato)dinickel(II)] monohydrate], {[Ni2(C5H6O4)2(C16H18N4)2(H2O)2]·H2O}n or {[Ni2(Glu)2(1,4-mbix)2(H2O)2]·H2O}n, (I), and two-dimensional poly[[{μ2-1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene}(μ2-glutarato)zinc(II)] tetrahydrate], {[Zn(C5H6O4)(C16H18N4)]·4H2O}n

Two new gold(III) complexes with adenine or guanine nitrogenous bases as counter-cations were synthesized. These are 6-amino-7H-purine-1,9-diium tetrachloridogold(III) chloride monohydrate, (C5H7N5)[AuCl4]Cl·H2O, 1, and 2-amino-6-oxo-6,7-dihydro-1H-purin-9-ium tetrachloridogold(III) hemihydrate, (C5H6N5O)[AuCl4]·0.5H2O, 2. Their crystal structures were studied using single-crystal X-ray diffraction

Porphyrins and metalloporphyrins can generally show attractive structural motifs and interesting properties. A new copper porphyrin, namely poly[[μ-chlorido-[μ5-5,10,15,20-tetrakis(pyridin-4-yl)-21H,23H-porphine]tricopper(I)] [aquadichloridocopper(II)]], {[Cu3(C40H24N8)Cl][CuCl2(H2O)]}n (1), was synthesized by the self-assembly of copper chloride with 5,10,15,20-tetrakis(pyridin-4-yl)-21H,23H-porphine

The reactions of (R)- and (S)-4-(1-carboxyethoxy)benzoic acid (H2CBA) with 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene (1,3-BMIB) ligands afforded a pair of homochiral coordination polymers (CPs), namely, poly[[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene][μ-(S)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate], {[Zn(C10H8O5)(C14H14N4)]·H2O}n or {[Zn{(S)-CBA}(1,3-BMIB)]·H2O}n (1-L), and poly[[[μ-1

By the solvothermal reactions of 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid (H2L) with transition-metal ions, two novel polymeric complexes, namely, poly[diaqua[μ4-2,5-bis(1H-1,2,4-triazol-1-yl)terephthalato]cobalt(II)], [Co(C12H6N6O4)(H2O)2]n, (1), and poly[[diaqua[μ4-2,5-bis(1H-1,2,4-triazol-1-yl)terephthalato]nickel(II)] dihydrate], {[Ni(C12H6N6O4)(H2O)2]·2H2O}n, (2), were isolated. Both polymers

The title benzothiazine-3-carboxamide, C17H16N2O4S, crystallized in two enantiomorphic crystal forms with the space groups P32 and P31 despite the absence of a classic stereogenic atom. The molecular structures are mirror images of each other. Only one sulfonyl O atom takes part in intramolecular hydrogen bonding as a proton acceptor and this atom is different in the two enantiomorphic structures.

Eight novel Schiff bases derived from benzil dihydrazone (BDH) or benzil monohydrazone (BMH) and four fused-ring carbonyl compounds (3-formylindole, FI; 3-acetylindole, AI; 3-formyl-1-methylindole, MFI; 1-formylnaphthalene, FN) were synthesized and characterized by elemental analysis, ESI-QTOF-MS, 1H and 13C NMR spectroscopy, as well as single-crystal X-ray diffraction. They are (1Z,2Z)-1,2-bis{(E

The crystal structures of diphenyl (cycloheptylamido)phosphate, C19H24NO3P or (C6H5O)2P(O)(NHC7H13), (I), and diphenyl (dibenzylamido)phosphate, C26H24NO3P or (C6H5O)2P(O)[N(CH2C6H5)2], (II), are reported. The NHC7H13 group in (I) provides two significant hydrogen-donor sites in N-H...O and C-H...O hydrogen bonds, needed for a one-dimensional hydrogen-bond pattern along [100] in the crystal, while

The crystal structures of three unusual chromium organophosphate complexes have been determined, namely, bis(μ-butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO:κO')di-μ-hydroxido-bis[(butyl 2,6-di-tert-butyl-4-methylphenyl hydrogen phosphato-κO)(butyl 2,6-di-tert-butyl-4-methylphenyl phosphato-κO)chromium](Cr-Cr) heptane disolvate or {Cr2(μ2-OH)2[μ2-PO2(OBu)(O-2,6-tBu2-4-MeC6H2)-κO:κO']2[PO2(OBu)(O-2

Structural and theoretical studies of four novel 5,6-dehydronorcantharidine (DNCA)/norcantharidine (NCA) derivatives, namely (3aR,4S,7R,7aS)-2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione, C14H11NO3 (DNCA-A), (3aR,4S,7R,7aS)-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxy-1H-isoindole-1,3(2H)-dione, C14H10N2O5 (DNCA-NA), (3aR,4S,7R,7aS)-2-(4-nitrophenyl)-3a,4,5,6,7,7a-hexahydro-1H-4

Bis(5-amino-1,2,4-triazol-3-yl)methane (BATZM, C5H8N8) was synthesized and its crystal structure characterized by single-crystal X-ray diffraction; it belongs to the space group Fdd2 (orthorhombic) with Z = 8. The structure of BATZM can be described as a V-shaped molecule with reasonable chemical geometry and no disorder. The specific molar heat capacity (Cp,m) of BATZM was determined using the continuous

By employing the conjugated bithiophene ligand 5,5'-bis(1H-imidazol-1-yl)-2,2'-bithiophene (bibp), which can exhibit trans and cis conformations, two different CuII coordination polymers, namely, poly[[μ-5,5'-bis(1H-imidazol-1-yl)-2,2'-bithiophene-κ2N:N'](μ2-4,4'-oxydibenzoato-κ2O:O')copper(II)], [Cu(C14H8O5)(C14H10N4S2)]n or [Cu(bibp)(oba)]n, (I), and catena-poly[μ-aqua-bis[μ-5,5'-bis(1H-imidazol-1-yl)-2

Aminoalkanol derivatives have attracted much interest in the field of medicinal chemistry as part of the search for new anticonvulsant drugs. In order to study the influence of the methyl substituent and N-oxide formation on the geometry of molecules and intermolecular interactions in their crystals, three new examples have been prepared and their crystal structures determined by X-ray diffraction

A novel Ni2+ complex with the N4-donor tripodal ligand bis[(1-methyl-1H-imidazol-2-yl)methyl][2-(pyridin-2-yl)ethyl]amine (L), namely, aqua{bis[(1-methyl-1H-imidazol-2-yl-κN3)methyl][2-(pyridin-2-yl-κN)ethyl]amine-κN}chloridonickel(II) perchlorate, [NiCl(C17H22N6)(H2O)]ClO4 or [NiCl(H2O)(L)Cl]ClO4 (1), was synthesized and characterized by spectroscopic and spectrometric methods. The crystal structure

With the rapid development of metal-organic frameworks (MOFs), a variety of MOFs and their derivatives have been synthesized and reported in recent years. Commonly, multifunctional aromatic polycarboxylic acids and nitrogen-containing ligands are employed to construct MOFs with fascinating structures. 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid (H3TATB) and the bidentate nitrogen-containing

1,3-Enyne structural motifs are versatile building blocks in organic synthesis and occur widely in various natural products with many of them being highly active as cytotoxic macrolides and antitumour antibiotics. This article presents the crystal structure of three 1,1,4-triphenyl-substituted 1,3-enynes, viz. 4-(2-methylphenyl)-1,1-diphenylbut-1-en-3-yne, C23H18 (1), 4-(2-methoxyphenyl)-1,1-diphenylbut-1-en-3-yne

Depsipeptides and cyclodepsipeptides are analogues of the corresponding peptides in which one or more amide groups are replaced by ester functions. Reports of crystal structures of linear depsipeptides are rare. The crystal structures and conformational analyses of four depsipeptides with an alternating sequence of an α,α-disubstituted α-amino acid and an α-hydroxy acid are reported. The molecules

The Co-MOF poly[[diaqua{μ4-1,1,2,2-tetrakis[4-(1H-1,2,4-triazol-1-yl)phenyl]ethylene-κ4N:N':N'':N'''}cobalt(II)] benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate], {[Co(C34H24N12)(H2O)2](C8H4O4)·C8H6O4}n or {[Co(ttpe)(H2O)2](bdc)·(1,4-H2bdc)}n, (I), was synthesized by the hydrothermal method using 1,1,2,2-tetrakis[4-(1H-1,2,4-triazol-1-yl)phenyl]ethylene (ttpe), benzene-1,4-dicarboxylic acid