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ISSN: 2414-3146

April 2019 issue

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Cover illustration: In the crystal structure of 2,8-dimethyl-5,11-bis­[3-(methyl­sulfan­yl)prop­yl]-1H,7H-diimidazo[c,h][1,6]diazecine, large voids of ca 100 Å3 are present, which are apparently not filled with solvent mol­ecules. The refinement was challenging because of twinning and disorder as well as these voids. See: Gasque, Zermeño & Bernès [IUCrData (2019). 4, x190441].

metal-organic compounds


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The reaction between equimolar amounts of propane-1,3-di­amine and molybdenum trioxide in water led to the formation of single crystals of the title salt, (C3H12N2)[MoO4]. The asymmetric unit comprises of one propane-1,3-di­ammonium cation and one molybdate anion. The latter is isolated in the structure and has a slightly distorted tetra­hedral configuration. An extensive network of N—H⋯O hydrogen bonds connects anions and cations, giving rise to a compact three-dimensional packing.

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The reported monocluear GdIII complex belongs to an isotypic lanthanide series in which the metal centre is 8-coordinate, and crystallizes with ethanol as lattice solvent.

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In the title compound, [Fe(C17H12Br)2], the five-membered rings sandwiching the iron atom are almost perfectly eclipsed.

organic compounds


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A new polymorph of N-[5-(di­phenyl­amino)­penta-2,4-diyn-1-yl]benzamide is reported.

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The two independent mol­ecules of the title compound differ in the orientation of the phenyl rings with respect to the plane of the triazine ring. In the crystal, mol­ecules are linked by classical N—H⋯N hydrogen bonds to form chains parallel to the b axis.

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The asymmetric unit of the title compound contains three independent mol­ecules which, weak C—H⋯π inter­actions link the mol­ecules.

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The reported thio­phene derivative is asymmetrically substituted, with an imine group and a phenyl­ethynyl group.

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The crystal of the title compound features N—H⋯S hydrogen bonds, which generate (000) layers.

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In the crystal structure of the title compound, large voids of ca 100 Å3 are present, which are apparently not filled with solvent mol­ecules.

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The crystal structure of the title compound has been characterized by single-crystal X-ray diffraction and by IR, UV, and 1H NMR spectroscopic techniques. The mol­ecule resides on a crystallographic twofold axis, which leads to disorder of the H atoms on the methyl group attached to the benzene ring.

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The mol­ecular and crystal structure of a perchlorate salt of the 1,3-bis­(2,4,6-tri­methyl­phen­yl)imidazolium cation is reported.

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The title compound is a benzoin with a bulky substituent on the alcohol group. The conformation in the crystal structure is similar to that found for the unsubstituted benzoin.

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The absolute structure of D-glutamic acid hydro­chloride has been determined by single-crystal X-ray diffraction at room temperature using Cu Kα radiation.

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The structure of the title compound, a di­hydroxy­lated metabolite of 3,4-di­chloro­biphenyl (PCB 14)features π–π stacking inter­actions between inversion-related chlorinated benzene rings

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In the title compound, the configuration around the sulfur atom of the sulfonedi­imine group is a slightly distorted tetra­hedron with two S=N bonds and two S—C bonds. In the crystal, mol­ecules are connected by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R_{2}^{2}(12) ring motif.

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The title compound, a rare example of a spiro­cyclic ortho­amide, was synthesized by a double cyclization of a N-Boc protected sarcosine derivative. The crystal structure of the racemic (R,R/S,S) modification reveals two near-orthogonal five-membered heterocyclic ring systems, each in an envelope configuration.

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In the title compound, the dihedral angle between the fluorene moiety and the chloro­phenyl ring is 64.59 (6)° and a possible weak intra­molecular C—H⋯π inter­action occurs.
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