issue contents

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

November 2015 issue

Highlighted illustration

Cover illustration: Trimeric perfluoro-o-phenylene mercury is a macrocyclic Lewis acidthat can be used for the preparation of charge-transfer complexes with unusual optical properties. In combination with the unstable dienophilic compound tetracyanoethylene, this macrocycle reacted to the adduct [Hg3(C6F4)3]·C6N4. In the crystal structure, the macrocycle exhibits point group symmetry 2 and the tetracyanoethylene molecule point group symmetry \overline{1}. The latter is nearly perpendicular to the mean plane of the macrocycle at a dihedral angle of 88.20 (5)°. Intermolecular interactions between the moieties are weak with Hg...N distances to the nitrile N atoms from the three mercuryatoms of the macrocycle ranging from 2.990 (4) to 3.030 (4) Å Thermogravimetrical analysis revealed that upon complexation tetracyanoethylene is stable to higher temperatures compared to the free state. See: Castañeda, Timofeeva & Khrustalev [Acta Cryst. (2015). E71, 1375-1378].

research communications



link to html
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].

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
Using a predesigned tripodal Schiff-base ligand, a monomeric octa­hedral MnIV complex has been synthesized and its structure determined at 100 K.

link to html
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.

link to html
Treatment of an irida­benzene with either bromine or iodine generates high-oxidation-state IrIII irida­benzenes that contain an open coordination site.

link to html
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.

link to html
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.

link to html
The crystal structures of two phospho­rus oxonitride polymorphs (cristobalite- and coesite-type) were redetermined by means of single-crystal X-ray diffraction data.

link to html
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].

link to html
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).

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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 R_{4}^{4}(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.

link to html
(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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.


link to html
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.

link to html
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 R_{2}^{2}(8) ring motif.

link to html
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].

link to html
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.

data reports

inorganic compounds


metal-organic compounds












organic compounds