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Journal logoCRYSTALLOGRAPHIC
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ISSN: 2056-9890

June 2018 issue

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Cover illustration: A new polymorph of the amino acid L-isoleucine has been obtained by slow evaporation from a hot supersaturated aqueous solution. The crystals belong to space group P21 with four zwitterionsin the asymmetric unit. The crystal packing is characterized by anti-parallel alternating layers formed by N-H...O hydrogen bonds. See: Curland, Meirzadeh & Diskin-Posner [Acta Cryst. (2018). E74, 776-779].

research communications


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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 R\overline{3}c), while TlFe(HAsO4)2 crystallizes in the (NH4)Fe(HPO4)2 structure type (space group P\overline{1}).

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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(?)°.

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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.

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The structures of two new chalcone derivatives have been determined and are investigated using Hirshfeld surface analysis and mol­ecular electrostatic potential techniques.

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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.

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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.

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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.

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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.

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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.

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The pyridine-2,6-di­carboxyl­ate anions bridge the CaII and CoII cations to form a polymeric complex chain propagating along the b-axis direction.

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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)°.

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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.

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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.

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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.

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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.

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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.

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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.

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The synthesis and crystal structures of four iridium–PCP pincer complexes, each containing a highly flexible carbodi­phospho­rane PCP pincer ligand, are discussed.

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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.

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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.


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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

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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.

Research communications

Research communications are designed to help authors bring out the science behind their structure determinations. Authors are encouraged to report more than one structure in the same communication and also to include the results of investigations with other techniques. The Research communications format makes Acta E the natural home for structure determinations with interesting science to report.

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Acta E is included in the Emerging Sources Citation Index.

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