issue contents
June 2018 issue
research communications
Rubidium iron bis[hydrogen arsenate(V)] and thallium iron bis[hydrogen arsenate(V)] were grown under mild hydrothermal conditions (T = 493 K, 7 d). RbFe(HAsO4)2 adopts the RbFe(HPO4)2 structure type (space group Rc), while TlFe(HAsO4)2 crystallizes in the (NH4)Fe(HPO4)2 structure type (space group P).
The title iron(II)–porphyrin complex possesses inversion symmetry with the metal atom located on a center of symmetry. The iron(II) atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethylimidazole ligands in the axial sites. The dihedral angle between the 1-ethylimidazole plane and the plane of the closest Fe—Np vector is 24.5(?)°.
CCDC reference: 1839313
A new polymorph of (2S,3S)-2-amino-3-methylpentanoic acid, L-isoleucine C6H13NO2, crystallizes in the monoclinic space group P21 with four independent molecules in the asymmetric unit. In the crystal, N–H⋯O hydrogen bonds link two pairs of independent molecules and their symmetry-related counterparts to form two types of layers stacked in an anti-parallel manner parallel to (001). The hydrophobic aliphatic isopropyl groups protrude from these layers.
CCDC reference: 1838774
The structures of two new chalcone derivatives have been determined and are investigated using Hirshfeld surface analysis and molecular electrostatic potential techniques.
In [C34H41N4Se+]2[Hg(SeCN)4]2−, the arylselenenium cations, [C34H41N4Se]+, and [Hg(SeCN)4]2− anions are linked by C—H⋯N hydrogen bonds. In the cation, the geometry around the Se atom is T-shaped, resulting from the coordination of Se by the C atom of the central aromatic ring and the N atoms of the benzimidazolyl moieties.
CCDC reference: 1839609
In Ru3(CO)11PPh2(C6H4SMe-4), the phosphane ligand occupies an equatorial position. In the crystal, phenyl-C—H⋯O(carbonyl) and carbonyl-O⋯O(carbonyl) interactions general a [111] supramolecular chain.
CCDC reference: 1842044
In the title dimedone derivative, the 4-hydroxy-3-methoxybenzyl substituent adopts a sofa conformation. In the crystal, molecules are assembled into a sheet structure parallel to the ab plane via O—H⋯O hydrogen bonds.
CCDC reference: 1841730
In a binuclear complex containing two Sn4+ ions, connected by the doubly N-deprotonated oxalylbis[(2-oxidobenzylidene)hydrazide] ligands, and with each Sn4+ is linked to two tert-butyl groups, the coordination sphere of each Sn atom is best described as a trigonal bipyramid.
CCDC reference: 1842349
Two new structures from a very small group to date of six-coordinate monocationic iron(III) complexes containing two bidentate phosphane and two halido ligands are presented as dichloromethane solvates. The Fe—P and Fe—Cl bond lengths are longer and shorter, respectively, than those previously reported for cations in this group.
The pyridine-2,6-dicarboxylate anions bridge the CaII and CoII cations to form a polymeric complex chain propagating along the b-axis direction.
CCDC reference: 1832782
The synthesis and crystal structure of a new thiophene monomer containing a 1,2,4-triazole-5-thione ring are reported. The thiophene and 1,2,4-triazole rings are inclined to each other by 79.70 (9)°.
CCDC reference: 1843042
A non-symmetric aromatic β-diketone enol bearing a carboxymethyl group has been synthesized and characterized by X-ray crystallography, 1H and 13C NMR spectroscopy, elemental analysis, UV–Vis spectroscopy and cyclic voltammetry.
CCDC reference: 1838743
An unexpected product was obtained from slow evaporation in acidic media, as a protonated nitrogen is combined with a disulfide bond between a pair of 2-mercaptonicotinic acid moieties.
CCDC reference: 1841479
In the title compound, 1,3-dioxolane and 1,3-dioxole rings adopt envelope forms, while amide moiety and benzene ring are essentially planar. An intramolecular O—H⋯O hydrogen bond supports the molecular conformation, and intermolecular weak C—H⋯O and C—H⋯π interactions connect the molecules into sheet structure.
CCDC reference: 1842600
3-(1,1,1-Trimethylhydrazin-1-ium-2-yl)propanoate (M, more commonly known under its commercial names Meldonium or Mildronate) co-crystalizes with sodium bromide and sodium iodide forming polymeric hydrates. Metal ions and M zwitterions are assembled into infinite layers via electrostatic interactions and hydrogen-bonded networks. These layers are connected via electrostatic attraction between halogenide ions and positive trimethylhydrazinium groups into a three-dimensional structure.
In the bischalcone molecule, the central benzene and terminal hydroxyphenyl rings form a dihedral angle of 14.28 (11)° and the central C=C double bond adopts a trans conformation. In the crystal, the title molecule and solvate are linked by O—H⋯O hydrogen bonds.
CCDC reference: 1449629
By in situ oxidation (S—S)2− and (Se—Se)2− moieties are formed, replacing nBu3Sn substituents on alkene carbon atoms of two distinct and subsequently linked 1,3-ene-dithiol-2-one units. The resulting compounds, bis[4-methyl-1,3-dithiol-2-one] disulfide, C8H6O2S4S2, and bis[4-methyl-1,3-dithiol-2-one] diselenide, C8H6O2Se6, are isotypic.
The synthesis and crystal structures of four iridium–PCP pincer complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand, are discussed.
In the racemic title compound, the sulfur atom is attached equatorially to the sugar ring with unequal S—C bonds. The dihedral angles between the pyridine ring and its attached phenyl groups are 42.24 (8) and 6.37 (14)°. In the crystal, a system of classical O—H⋯O and O—H⋯(O,O) hydrogen bonds links the molecules to form tube-like assemblies propagating parallel to the c-axis direction.
CCDC reference: 1843269
The crystal structures of two first-row transition metal (Fe and Co) pyridine–sulfate complexes are presented. The compounds demonstrate infinite chains of metal pyridine units connected by bridging sulfate anions.
The effect of different leaving groups on the substitution versus elimination outcomes with C-5 D-glucose derivatives was investigated.
The title compound crystallizes with four molecules in the unit cell (Z = 4) and one formula unit in the asymmetric unit. In the crystal, molecules are linked in a head-to-tail fashion into dimers along the b-axis direction through weak C—H⋯Br and C—O⋯Csp2 interactions. C—H⋯O, C—F⋯π and F⋯F interactions are also observed
CCDC reference: 1843826
The azo N=N bond adopts a trans conformation and the pyrrole N and azo group are in an anti orientation. The dihedral angles between the pyrrole ring and the two phenyl rings are 6.7 (3) and 54.7 (3)°. In the crystal, a supramolecular ring structure is formed between two azopyrrole and two methanol solvent molecules through four O—H⋯O hydrogen bonds.
CCDC reference: 1845021