issue contents
January 2021 issue
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Cover illustration: Substituted methoxyphenyl)piperazines have been used as building blocks to obtain ligands and derivatives for drugs and other compounds of biological interest. Against this background, six new 1-halobenzoyl-4-(2-methoxyphenyl)piperazines have been synthesized and their molecular and crystal structures systematically analysed. The present paper especially focuses on the supramolecular patterns formed through C-HO and C-H
interactions and rationalises the different values of Z' with the dimensionality of the hydrogen-bond networks formed. See: Harish Chinthal, Kavitha, Yathirajan, Foro & Glidewell [Acta Cryst. (2021). E77, 5-13].
research communications
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The reaction of 1,5-dibromopentane with urotropine results in crystals of the title molecular salt, 5-bromourotropinium bromide, crystallizing in space group P21/n. The packing is directed mainly by H⋯H van der Waals interactions and C—H⋯Br hydrogen bonds, as revealed by Hirshfeld surface analysis.
CCDC reference: 2046576
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Among six closely related 1-halobenzoyl-4-(2-methoxyphenyl)piperazines, those with Z′ = 1 form one-dimensional hydrogen-bonded assemblies, those with Z′ = 2 form two-dimensional hydrogen-bonded assemblies, and that with Z′ = 4 forms a three-dimensional hydrogen-bonded assembly. Pseudosymmetry and inversion twinning are apparent when Z′ > 1.
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The structure of a nickel(II) terephthalate complex, viz. tetraaquabis(pyridine-3-carbonitrile)nickel(II) benzene-1,4-dicarboxylate tetrahydrate is described.
CCDC reference: 1538307
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The dihydroquinoxaline moiety in the title compound is not planar. In the crystal, C—H⋯O hydrogen bonds form helical chains about the crystallographic 21 axes. The chains pack with normal van der Waals contacts.
CCDC reference: 2047850
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In the title pyridazinone derivative, the chlorophenyl and pyridazinone rings being almost perpendicular, while the phenyl ring of the styryl group is coplanar with the pyridazinone ring. In the crystal, N—H⋯O hydrogen bonds form inversion dimers with an
(8) ring motif and C—H⋯Cl hydrogen bonds also occur.
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CCDC reference: 2047452
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In the crystal of the title compound, corrugated layers of molecules extending along the ab plane are generated by C—H⋯O hydrogen bonds.
CCDC reference: 2048734
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The hydrogen-bonded assembly of 3-amino-1H-pyrazol-2-ium 3,5-dinitrobenzoate monohydrate and bis(3-amino-1H-pyrazol-2-ium) fumarate fumaric acid is two-dimensional, but that in the orthorhombic form of the simple salt 3-amino-1H-pyrazol-2-ium nitrate is three-dimensional.
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The title compound, [Cu4Cl6O(C13H9N)4], was obtained by the reaction of CuCl with 4-phenylethynylpyridine in dichloromethane. The complex contains a tetrahedron of four CuII cations coordinated to a central μ4-O atom, with the six edges of the Cu4 tetrahedron bridged by Cl atoms. The Cu—O distances average 1.905 Å and Cu—Cl 2.418 Å.
CCDC reference: 2048458
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A short [2.592 (3) Å] intramolecular N—H⋯O hydrogen bond leads to an S(6) graph-set motif. Intermolecular π–π stacking and C—O⋯π interactions dominate the crystal packing.
CCDC reference: 2049242
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The steric requirement resulting from the substituted methyl or phenyl group at the ortho-position of the coordinating quinoline-N atom in 8-(diphenylphosphanyl)quinoline enforces the square-planar coordination geometry of the dichloridopalladium(II) center to be highly distorted.
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Common features in the crystal structures of [Al(H2O)6](SO4)NO3·2H2O and [Al(H2O)6](SO4)Cl·H2O are [Al(H2O)6]3+ octahedra and sulfate tetrahedra. These components, the remaining anion (NO3− and Cl−, respectively) and lattice water molecules are separated from each other. Interactions are mediated via medium–strong hydrogen bonding.
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A single-crystal X-ray diffraction study of K2Mg3(OH)2(SO4)3(H2O)2 revealed the locations of all H atoms and hence a revised hydrogen-bonding scheme in comparison with a previous powder X-ray diffraction study.
CCDC reference: 2050138
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The phenyl rings are almost oriented perpendicularly. In the crystal, intermolecular O—HOxm⋯NOxm, O—HHydr⋯OHydr, O—H′Hydr⋯OHydr and O—HOxm⋯OHydr hydrogen bonds link the molecules into infinite chains along the c-axis direction.
CCDC reference: 2049764
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The synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from N-methyl-2-pyrrolidine are explored.
CCDC reference: 2050442
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The crystal structure of the natural product lawinal is reported. The compound crystallizes with monoclinic (I2) symmetry and with Z′ = 2.
CCDC reference: 2051848