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June 2017 issue
research communications
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The reaction of the ligand N2,N3-bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide with silver(I) nitrate led to the formation of a three-dimensional coordination polymer.
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The hydrogen-bonding interactions in the crystal structures of N-(5-acetyl-2-methylphenyl)quinoline-2-carboxamide, N-(5-acetyl-2-bromophenyl)quinoline-2-carboxamide and N-(5-acetyl-2-ethynylphenyl)quinoline-2-carboxamide are described. The latter two compounds also exhibit π–π interactions.
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The title dinuclear mercury(II) complex, [Hg2Cl4(C16H19N3)2], synthesized from the pyridine-derived Schiff base (E)-N1,N1-diethyl-N4-[(pyridin-2-yl)methylidene]benzene-1,4-diamine (DPMBD), has inversion symmetry with the five-coordinated HgII centres having distorted square-pyramidal stereochemistry comprising two N-atom donors from a bidentate chelate BPMBD ligand and three Cl-atom donors, one monodentate and two bridging.
CCDC reference: 1531593
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The molecular and crystal structure of the title Schiff base derivative is reported. O—H⋯N hydrogen bonds link molecules into a supramolecular chain along a.
CCDC reference: 1547455
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Trisodium rubidium heptamagnesium hexakis(orthophosphate) exhibits a new structure type, with MgOx (x = 5 and 6) polyhedra linked directly to each other through common corners or edges and reinforced by corner-sharing with PO4 tetrahedra. The resulting anionic three-dimensional framework leads to the formation of channels in which the Na+ cations are located, while the Rb+ cations are located in large interstitial cavities.
CCDC reference: 1546558
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The title compound represents another solvatomorph of apremilast, containing half of an ethanol and half of a water solvent molecule per formula unit
CCDC reference: 1504229
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The structure and electrochemical properties of a nickel tripyridine–diamine complex are reported. The complex has two redox couples at −1.50 and −1.80 V (versus Fc+/0) based on nickel.
CCDC reference: 1548052
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Reaction of silver(I) chloride with 1-(4-nitrophenyl)thiourea and triphenylphosphane ligands of 1:2:1 ratio leads to the mononuclear complex [AgCl(C7H7N3O2S)(C18H15P)2]. In the crystal, bifurcated N—H⋯Cl and a weak C—H⋯O hydrogen bonds link molecules into a two-dimensional network.
CCDC reference: 1546767
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The molecular and crystal structures of the centrosymmetric naphthoxazine derivative is reported. In the absence of hydrogen-bonding and π–π stacking interactions, the crystal structure is stabilized by short C—H⋯π contacts.
CCDC reference: 1547729
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The CaO6 polyhedron and CuO4 quadrilateral are connected by the benzene-1,3,5-tricarboxylate anions to give a three-dimensional polymeric complex.
CCDC reference: 1547715
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The title compound comprises a central pyromellitic diimide moiety with terminal decyl groups, with potential applications as an acaricide, insecticide and mematicide.
CCDC reference: 1548456
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In (CH3)2Sn[S2CN(CH2CH2)2O]2, a skew-trapezoidal bipyramidal coordination geometry based on a C2S4 donor set is found. Secondary Sn⋯S interactions lead to centrosymmetric dimeric aggregates in the crystal.
CCDC reference: 1548414
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The asymmetric unit of the title carbamate, contains two independent molecules (A and B) with similar conformations. In the crystal, they are arranged alternately, forming –A–B–A–B– chains linked by N—H⋯O(carbonyl) hydrogen bonds, which extend along the a-axis direction.
CCDC reference: 1548793
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The crystal structure of Pb2(CrO4)(TeO3) is isotypic with its sulfate analogue Pb2(SO4)(TeO3). Comparison between the structures is made with the COMPSTRU program.
CCDC reference: 1548953
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The title structure consists of 3-aminopyridinium cations and 1′-carboxyferrocene-1-carboxylate monoanions held together by N—H⋯O and O—H⋯O hydrogen bonds.
CCDC reference: 1444115
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The homoleptic nickel–thiosemicarbazonate complex shows structural features including an unusual cis-coordination and trans-anagostic Ni—H intramolecular interactions. In the crystal, complex and DMF solvate molecules build up a one-dimensional hydrogen-bonded polymer along [010].
CCDC reference: 1550129
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The synthesis and structure of the title piperidine derivative is reported. It is one of a second generation of compounds designed and synthesized based on a very potent and selective α9α10 nicotinic acetylcholine receptor antagonist ZZ161C, which has shown analgesic effects in a chemotherapy-induced neuropathy animal model.
CCDC reference: 1550512
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The title compound exhibits a cis conformation with respect to the F atom and the methine H atom. It crystallized from a racemic mixture as a pure diastereomer, hence the unit-cell contains both the 3S,4R- and 3R,4S-enantiomers.
CCDC reference: 1535140
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An unprecedented two-dimensional water–chloride anionic {[(H2O)10Cl2]2−}n network has been structurally identified in a hydrophobic matrix of the nickel(II) complex [Ni(ftpy)2]Cl2·10H2O [ftpy = 4′-(furan-2-yl)-2,2′:6′,2′′-terpyridine].
CCDC reference: 1498201
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The title compound, crystallizes with two independent molecules (A and B) in the asymmetric unit, which are far from planar. The aryl rings are inclined to one another by 58.77 (9)° in molecule A and by 36.95 (8)° in molecule B.
CCDC reference: 703162
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The crystal structures of benzotriazolylpropanamides are governed by π–π stacking between the benzotriazolyl residues and, in the case of primary amide NH2 groups, by N—H⋯O and N—H⋯N bridging.
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A second metastable polymorphic form of the antifungal anilinopyrimidine active pyrimethanil was isolated from an attempted co-crystallization experiment with meso-erythriol in dimethyl sulfoxide (DMSO). The origin of the polymorphic behaviour is revealed in that the conformation of each dimer present in the asymmetric unit of the structure is unique and determined by the rotation of the second molecule in the dimer with respect to the first.
CCDC reference: 1549998
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The transition metal orthophosphate Ag1.655Co1.64Fe1.36(PO4)3 crystallizes in an alluaudite-type structure. The chains characterizing the alluaudite structure are built up from edge-sharing [CoO6] and [FeO6] octahedra linked together by PO4 tetrahedra. The Ag+ cations are located in two types of channels in the resulting framework.
CCDC reference: 1551181
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The transition metal orthophosphate CaNi2Fe(PO4)3 adopts the α-CrPO4 structure type. The structure is built up from two types of sheets, resulting in an open three-dimensional framework that delimits two types of channels in which the CaII cations are located.
CCDC reference: 1551182
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The three title compounds are centrosymmetric. Their packing features chains linked by either pairwise C—H⋯O or C—H⋯π interactions.
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The synthesis and crystal structure of a new thiophene monomer containing an additional rhodanine heterocycle are reported. The crystal packing is sustained by N—H⋯O, C—H⋯O, C—H⋯S and C—H⋯π interactions.
CCDC reference: 1551679
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The synthesis, spectroscopic and crystal structure of 2-azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine is reported.
CCDC reference: 1551849
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A polycrystalline sample of the title compound exhibits a considerable second-order non-linear optical effect (frequency doubling of 1064 nm light to output 532 nm light). In the crystal, molecules are linked by C—H⋯O hydrogen bonds, generating chains along the [100] direction. Based on a DFT calculation, [100] proves to be the most favourable direction for charge transport and the title crystal could be used as a hole-transport material because of its high hole mobility.
CCDC reference: 1528555
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The closely related title compounds show different intra- and intermolecular hydrogen-bonding patterns.
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A step-like conformation about the pyranyl ring is found for the molecular structure of the title compound. The three-dimensional packing is sustained by π–π, C—Cl⋯π and C—H⋯O interactions.
CCDC reference: 1551641