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November 2015 issue
research communications
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The structures of 2- and 3-substituted tertiary carboxamides and analogous pyrrolidine structures are compared.
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The title compound was produced unexpectedly from (±)-1,2-diphenyl-1,2-propanediol by a sequential non-acid Pinacol rearrangement followed by acetal formation during recrystallization in 1-butanol. The tri-substituted dioxolane ring has a twist conformation and in the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains along [001].
CCDC reference: 1426279
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A 5:1 mixture of 4-hydroxypyridine with benzene 1,3,5-tricarboxylic acid in methanol yields the title hydrogen-bonded framework compound. This compound crystallizes in the orthorhombic space group Pna21 and is a polymorph of the same stoichiometric species, reported in Cc.
CCDC reference: 1427116
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The reaction of AgBF4 with the unsymmetrical ligand N-(pyridin-4-ylmethyl)pyridine-3-amine afforded a helical coordination polymer. The AgI atom adopts a slightly distorted linear coordination geometry. The symmetry-related right- and left-handed helical chains are arranged alternately via Ag⋯Ag and Ag⋯F interactions and π–π stacking interactions, resulting in the formation of a two-dimensional supramolecular network.
CCDC reference: 1428966
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Crystal structures of three co-crystals of bis(4-alkoxybenzoic acid) and 4,4′-bipyridyl have been determined at 93 K. The asymmetric unit of each compound comprises two crystallographically independent acid molecules and one base molecule, which are held together by O—H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit.
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The dinuclear complex [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolate)] consists of two Fe(CO)3 moieties bridged by a dithiolate ligand. This is the first crystal structure reported in which the 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolate) ligand bridges two metal atoms.
CCDC reference: 1429290
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The title compound is an example of a 12-metallacrown-4 self-assembled supramolecular coordination complex with ring MnIII ions. A YIII ion and Na+ ion are captured on opposite sides of the metallacrown cavity, and the YIII ion is tethered to the metallacrown with four trimethylacetate anions.
CCDC reference: 1428526
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Using a predesigned tripodal Schiff-base ligand, a monomeric octahedral MnIV complex has been synthesized and its structure determined at 100 K.
CCDC reference: 1429416
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Molecules of the title compound are linked via N—H⋯O(carbonyl), N—H⋯O(hydroxy) and O—H⋯O(carbonyl) bonds into a 5-connected framework.
CCDC reference: 1429681
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Treatment of an iridabenzene with either bromine or iodine generates high-oxidation-state IrIII iridabenzenes that contain an open coordination site.
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In the title compound 1-thiophen-2-ylmethyleneaminopyrimidine derivative, the pyrimidine and thienyl rings are inclined to one another by 42.72 (5)°. In the crystal, molecules are linked by N–H⋯Nnitrile and N–H⋯O=C hydrogen bonds, forming chains parallel to the b axis.
CCDC reference: 1430030
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In the title compound compound, the phenyl and pyrimidine rings are inclined to one another at 31.72 (6)°. The residues are associated into ribbons parallel to [110] by three classical hydrogen bonds. Adjacent ribbons are connected by translation parallel to the c axis by a `weak' hydrogen bond to form a layer structure parallel to (1-10), while a further contact connects the residues in the third dimension.
CCDC reference: 1430044
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The crystal structures of two phosphorus oxonitride polymorphs (cristobalite- and coesite-type) were redetermined by means of single-crystal X-ray diffraction data.
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The title compound, is the first tri-substituted cyclohexyloxy triazine to be described. In the crystal, the triazine rings form (C3i-PU) Piedfort units and the molecules are linked by C—H⋯O hydrogen bonds, forming ribbons propagating along [1-10].
CCDC reference: 1430153
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In the title compound, the 2-amino-1,3-dibromo-6-oxo-5,6-dihydropyrido[1,2-a]quinoxalin-11-ium cations are non-planar and are linked through centrosymmetric hydrogen-bonded cyclic Br2(H2O)2 anion–water units by N—H⋯Br, N—H⋯O and O—H⋯Br hydrogen bonds, forming one-dimensional ribbons, with the planes of the cations lying parallel to (100).
CCDC reference: 1428593
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The title compound, [Cr(urea)6](Cr2O7)Br·H2O, is isotypic with the corresponding chloride salt and consists of discrete [Cr(urea)6]3+ cations, staggered Cr2O74− and Br− anions and water solvent molecules that are held together by an intricate three-dimensional network of hydrogen-bonding interactions.
CCDC reference: 1430688
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Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids have been determined. The asymmetric unit of each compound comprises two crystallographically independent acid molecules and one base molecule, which are held together by O—H⋯N hydrogen bonds, forming linear hydrogen-bonded 2:1 units.
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The crystal structure of the novel organic–inorganic hybrid compound is based on a β-type Anderson polyoxidomolybdate anion containing a central FeIII ion. In the crystal, intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the components into a three-dimensional network structure.
CCDC reference: 1430684
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The title compound was prepared by the reaction of [butane-2,3-dione bis(4-methylthiosemicarbazonato)]zinc(II) with pyridine. The ZnII atom is five-coordinate in a pseudo-square-pyramidal geometry.
CCDC reference: 1430734
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The anionic network of the new hybrid compound (C7H10NO)[BiI4]·2H2O is built up by edge-sharing [BiI6] octahedra leading to a one-dimensional structural topology. Hydrogen bonds ensure the crystal cohesion by connecting the alternating organic–inorganic layers and building a three-dimensional framework.
CCDC reference: 1431306
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The components of the ternary cocrystalline adduct are linked by intermolecular O—H⋯N hydrogen bonds This is the first example of a 1:2 adduct containing two 4-nitrophenol molecules and one azaadamantane structure.
CCDC reference: 1431801
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This report describes the crystal structure of highly substituted trifluoroazepane as an important building block of therapeutic interest. Data were collected with synchrotron radiation on a very small crystal.
CCDC reference: 1431203
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In the isostructural ortho-tolyl N-pyridinylcarbamate and ortho-bromophenyl N-pyridinylcarbamate monohydrates, the primary aggregation involves cyclic hydrogen bonding as (amide–water–pyridine)2 comprising amideN—H⋯O—Hwater⋯Npyridine interactions about inversion centres [as (14) rings]. The remaining H2O O—H donor and carbonyl O=C form a strong hydrogen bond. The participation of strong hydrogen-bonding donors and acceptors is maximized in short interactions, resulting in two-dimensional sheets.
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(N-Methyl-N-phenylcarbamoyl)(N-methyl-N-phenylamino)sulfide and the corresponding disulfane are stable derivatives of (chlorocarbonyl)sulfenyl chloride and (chlorocarbonyl)disulfanyl chloride, respectively.
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The crystal structure and thermal properties of a mixed-stack donor–acceptor complex of trimeric perfluoro-o-phenylene mercury with tetracyanoethylene in an 1:1 ratio were studied by X-ray diffraction and TGA methods.
CCDC reference: 1430883
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The title compounds are two closely related oxalate-bridged dinuclear copper complexes. The histamine ligand is in a gauche conformation and coordinates to copper ions in a bidentate chelating fashion. The dinuclear complexes are linked to form three-dimensional networks via different types of hydrogen-bond and weak interactions.
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The title salt, (C6H14N2)2[Bi2Cl10]·2H2O, bears a close resemblance to its homologous antimonate structure. The crystal structure is formed by an alternating packing of organic and inorganic layers along [001] and contains isolated (Bi2Cl10)4− bioctahedra.
CCDC reference: 971956
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In the crystal structures of 4-methoxy-N-(4-methylphenyl)benzenesulfonamide and N-(4-fluorophenyl)-4-methoxybenzenesulfonamide, the supramolecular architecture of the former is controlled by C—H⋯πaryl interactions, forming a two-dimensional architecture, while in the latter, a pair of C—H⋯O intermolecular interactions lead to the formation of a three-dimensional architecture.
CCDC reference: 1432501
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The anhydrous morpholinium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and the isomeric (3,5-dichlorophenoxy)acetic acid and (2,4-dichlorophenoxy)acetic acid, provide three similar examples of one-dimensional hydrogen-bonded chain polymers and one of a cyclic hydrogen-bonded heterotetramer.
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The title compound contains one independent molecule which exhibits an overall ruffled conformation, with an average Ni—N bond length of 1.917 (13) Å. The molecules form a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dimers.
CCDC reference: 1427139
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The crystal structure and absolute configuration of two new nelfinavir analogs have been determined. Intermolecular hydrogen bonding leads to two-dimensional sheets in one analog and one-dimensional chains in the other.
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In the crystal structure of the title compound, the molecular components, viz. 4-(dimethylamino)pyridinium cations, tris[oxalatochromate(III)] anions and lattice water molecules, are linked through O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional network. Additional π–π interactions between pyridinium rings stabilize this arrangement.
CCDC reference: 1400490
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The title compound exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds, with the 1,2,4-triazole-5(4H)-thione ring almost normal to the indole and benzene rings. In the crystal, molecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers with an (8) ring motif.
CCDC reference: 1433130
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In the crystal, the acid H atom is twisted roughly 180° from the typical carboxy conformation and molecules are linked by pairs of O—H⋯N hydrogen bonds, involving the indole N atom, forming inversion dimers. Together with a weak C—H⋯O hydrogen bond, involving the carbonyl O atom, chains of inversion dimers are formed along [100].
CCDC reference: 1433300
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The structure of hexaamminecobalt(II) bis[tetracarbonylcobaltate(-I)] contains discrete octahedral [Co(NH3)6]2+ cations and [Co(CO)4]− anions held together by N—H⋯O hydrogen bonds.
CCDC reference: 1433399
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