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December 2015 issue
research communications
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In the solid-state, bis-p-anizidinegossypol exists in the enamine or quinoid form. The naphthyl moieties are close to perpendicular [dihedral angle = 72.08 (5)°]. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, generating layers which surround channels occupied by disordered guest molecules.
CCDC reference: 1433643
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The cyclopentane ring displays a twist conformation and the γ-lactone ring has an envelope conformation while the cycloheptane ring adopts a twist-chair conformation. O—H⋯O hydrogen bonds link the molecules, forming a three-dimensional network. A comparison between the structural parameters obtained by X-ray structure analysis and theoretical calculations give a satisfactory agreement.
CCDC reference: 1048445
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The molecular structure of the title complex is composed of a central benzene ring with 3-dimethylquinoxalin-6-yl groups at the 1 and 3 positions. There are intermolecular π–π interactions which result in a two-dimensional extended structure. The layers extend parallel to the ab plane and stack along the c axis.
CCDC reference: 1433738
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The title compound, C23H25N3O, crystallized with one single molecule in the asymmetric unit and present in the zwitterionic form. In the crystal, molecules are connected by N—H⋯O hydrogen bonds generating –A–B–A–B– zigzag chains extending along [010]. The chains are linked via C—H⋯π interactions and π–π interactions [with a centroid–centroid distance of 3.444 (3) Å)] between the benzene ring and the imino group of symmetry-related molecules, forming slabs lying parallel to (100).
CCDC reference: 1431311
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The structure of the title compound can be described as a three-dimensional network of FePO4N2 octahedra resulting from corner-sharing with four PO4 tetrahedra and bonding with two trans-arranged hydrazine molecules.
CCDC reference: 1432700
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In the crystal structure of 2,2′′-bis(2,7-dichloro-9-hydroxy-9-fluorenyl)-1,1′:4′,1′′-terphenyl as the tris(triethylamine) solvate, the diol host molecule possesses a `folded' molecular conformation with inversion symmetry. Two of the three solvent molecules form O—H⋯N hydrogen bonds and the third one forms C—H⋯N hydrogen bonds with the host compound.
CCDC reference: 1430018
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A novel mixed hydrogen sulfate–sulfate piperidinium salt comprises three protonated piperidinium cations, one hydrogen sulfate anion and one sulfate anion in the asymmetric unit. Strong hydrogen bonds exist between the cations and the anions giving rise to a three-dimensional structure.
CCDC reference: 1434209
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Two copper(II) complexes, a dinuclear and a hexanuclear complex with bridging hydroxyl and nitrate ligands, were obtained from reaction of copper nitrate with dihydroxybipyridine at neutral and slightly acidic pH. Formation of multi-nuclear complexes contrasts with the equivalent sulfate compounds which formed discrete mononuclear complexes. The complexes feature intramolecular and intermolecular hydrogen bonding.
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In the crystal, molecules pack in a centrosymmetric fashion and interact via a mixture of weak π–π stacking interactions, weak C—H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than that predicted by theory.
CCDC reference: 1433845
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In the structures of two ErIII compounds with 4-aminobenzoic acid and 4-chloro-3-nitrobenzoic acid, discrete centrosymmetric bridged dinuclear complex units are present giving an overall three-dimensional hydrogen-bonded structure in the first complex and a one-dimensional coordination polymer in the second.
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Three complexes synthesized by coordination of chiral imines to HgCl2 have been characterized, in which the tetrahedral HgII centre has a geometry strongly distorted towards the disphenoidal geometry.
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The crystal structure of the title compound contains discrete [{Na(H2O)2}2(μ-H2O)2(μ-pzdo)]2+ (pzdo is pyrazine N,N′-dioxide) cations, tetraphenylborate anions and uncoordinating water and pzdo molecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π interactions.
CCDC reference: 1434594
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In this manuscript the molecular and supramolecular structure of 2′,3,6′-trichlorobiphenyl-2-ylboronic acid tetrahydrofuran monosolvate is presented
CCDC reference: 1434205
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The title complex is composed of saddle-shaped molecules which closely interact in a pairwise fashion through π–π and C—H⋯π contacts to form `dimers'. These `dimers' further interact through C—H⋯S and C—H⋯π contacts to construct a complex three-dimensional extended structure.
CCDC reference: 1434765
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The structures of [Re2Br2(O2CC3H7)4] and [Re2(O2CC3H7)4Cl2]·2CH3CN are reported here. Both complexes, crystallized from acetonitrile and diethyl ether, exhibit paddlewheel conformations with quadruple bonds between the Re atoms.
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The title compound crystallized with two independent molecules in the asymmetric unit. In the crystal, molecules are linked by weak intra- and intermolecular C—H⋯O and C—H⋯π interactions, forming chains along the b axis.
CCDC reference: 1435344
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3,5-Bis[(E)-3-hydroxybenzylidene]-1-methylpiperidin-4-one and the 2-chlorobenzylidene derivative are monocarbonyl analogues of curcumin, and the conformations of the two compounds are very similar. In the 3-hydroxybenzylidene compound, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds link the molecules, forming sheets lying parallel to the ac plane. In the crystal of the 2-chlorobenzylidene derivative, molecules are linked via weak C—H⋯Cl hydrogen bonds, forming zigzag chains along the [204] direction.
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In dichloridobis(1,3-diazinane-2-thione-κS)cadmium(II), the CdII atom is bound to two chloride anions and two thione ligands via their S atoms. The geometry around the CdII atom is distorted tetrahedral, with the bond angles in the range 101.61 (3)–118.00 (3)°. Intramolecular N—H⋯Cl hydrogen-bonding interactions stabilize a butterfly syn molecular conformation.
CCDC reference: 1435435
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In the title compound, the MoVI cation is located on a mirror plane and has a distorted tetrahedral coordination geometry. The Mo≡N bond length is 1.633 (6) Å.
CCDC reference: 1432821
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The title compound, crystallized with two conformationally similar molecules (A and B) in the asymmetric unit. In the crystal, individual molecules are linked by pairs of O—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers with (12) ring motifs.
CCDC reference: 1009715
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The molecular and crystal structures of two isomeric bis(iodomethyl)benzene derivatives are reported. A comparison is made of the intermolecular contacts stabilizing the packing in the two closely related systems.
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The central dihydropyran ring of the compound shows an envelope conformation. In the crystal, O—H⋯O hydrogen bonds link the molecules into supramolecular chains propagating along the a-axis direction.
CCDC reference: 1435921
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A stable oxopiperidinium trication salt was synthesized. In the crystal, N—H⋯Cl, C—H⋯Cl and C—H⋯O hydrogen bonds link cations and anions into a three-dimensional network.
CCDC reference: 1435161
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The title compounds, (I) and (II), differ only in the substituent on the N atom of the central piperidine ring; methyl in (I) and benzyl in (II). In each molecule, the 4,11-dihydroxy groups are involved in intramolecular O—H⋯O hydrogen bonds. In the crystal of (I), molecules are linked via O—H⋯N hydrogen bonds, forming chains along the b-axis direction. In the crystal of (II), molecules are linked via O—H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif.
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In the crystal structure of the title compound, the sulfonamide N—H group forms an intermolecular hydrogen bond to the amine N atom.
CCDC reference: 1437453
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The asymmetric unit of the title compound comprises two independent molecules which exist in the trans conformation with respect to the methene C= C and the acyclic N=C bonds. In the crystal, molecules are linked via N—H⋯N hydrogen bonds, forming chains along the b-axis direction.
CCDC reference: 1437565
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In the title compound, the pyrrolidine and cyclohexane rings exhibit envelope and chair conformations, respectively. In the crystal, C—H⋯O interactions connect the molecules into tape structures.
CCDC reference: 1435676
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The homoleptic triply-ligated cation in two silyl chloride salt solvates of 1-oxo-2-pyridinone is found to co-crystallize as a mixture of fac and mer isomers. A related silyl cation of 1-oxo-2-pyridinethione is found as the fac isomer.
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The title molecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened envelope-type conformation.
CCDC reference: 1436825
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In the crystal of the title racemic compound, enantiomers aggregate with each other and are linked by O—H⋯N hydrogen bonds to form chiral 21-helical columnar structures from C(5) chains along the b-axis direction.
CCDC reference: 1438134
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The title compound is a substituted 2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole. The furanose ring adopts an envelope conformation, close to C3-exo, as does the fused dioxolane ring. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds, forming zigzag chains along [010].
CCDC reference: 1438541
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In the title compound, there is an intramolecular O—H⋯N hydrogen bond forming an S(9) ring motif. In the crystal, molecules are linked via C—H⋯O hydrogen bonds forming inversion dimers with an R44(10) ring motif. The dimers are linked by C—H⋯N hydrogen bonds, forming ribbons along [01-1].
CCDC reference: 1438483
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The binary compound Ca4As3crystallizes in the Ba4P3 structure type and is thus a homologue of isotypic Sr4As3. The As atoms are connected by a single bond thus this calcium arsenide is a Zintl phase.
CCDC reference: 1438335
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