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February 1999 issue
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Cover illustration: Tris(tetraethylammonium) tetra-mu3-selenido-tetrakis[(thiophenolato-S)iron], see Hauptmann, Schneider, Chen & Henkel, pages 192-194. Displacement ellipsoids are shown at the 50% probability level.
cif-access (metal-organic compounds)
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In the crystal structure of the the title compound, each K+ ion is coordinated to five planar 2,4-dichloro-6-nitrophenolate anions through the O atoms. All the O atoms are involved in the sixfold coordination of potassium.
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The title compound, [VO(salen)(NCS)], was prepared by the reaction of [VO(salen)]NO3 with KSCN. The structure was determined in order to observe the coordination of an isothiocyanate ion trans to an oxo O atom. There are two independent complex molecules in the crystal and they have similar distorted octahedral coordination geometries, with V—NCS distances of 2.218(6) and 2.300(5)Å.
cif-access (organic compounds)
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The single-crystal structure of the novel title compound, an analogue of the alkaloid hainanensine which has significant antitumor activity, was determined by X-ray structure analysis. nobreak Hydrogen bonds connect the molecules in pairs.
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The crystal structure of phenathridinium hydrogenselenate monohydrate has been determined by single-crystal X-ray diffraction. The title compound was characterized using IR spectroscopy, powder diffraction and differential scanning calorimetry. No indication of unusual dielectric properties was found.
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The structure of the title compound was determined previously by Jones & Templeton [Acta Cryst. (1958), 11, 484] at T = 278 K using the Weissenberg technique, and twice by Nahringbauer [Acta Chem. Scand. (1970), 24, 453-462] at T = 278 and 93 K. The present redetermination at T = 40 K provides data of higher precision, reflected in s.u.'s which are about one third those of Nahringbauer.
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The title compound belongs to the family of α,β-unsaturated carboxylic acids having a Z conformation. The packing is characterized by layers of O—H⋯O hydrogen-bonded dimers.
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The condensation reaction of 1,5-benzodiazepin-2-one with ethyl hydrazono-α-bromoglyoxylate in the presence of triethylamine is peri and regioselective, as indicated by the structures of the title cycloadducts. Moreover, these structures indicate that the dipole addition occurs in a unique way on the C=N double bond.
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The absolute configuration of the title compound has been determined. The structure contains two independent molecules with very similar conformations. Torsion angles about corresponding bonds differ by less than 10°. The solvent molecule is not involved in short intermolecular contacts.
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Coumarin derivatives are used as antifungal compounds, anticoagulants and laser dyes. In the title compound, the dihydrobenzene ring adopts a half-chair conformation and the hydroxyl group is involved in an O—H⋯O hydrogen bond. The inversion-related molecules are stacked 3.446 (4) Å apart along the c axis.
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In the title compound, one of the two chlorophenyl rings is disordered with the two different orientations nearly related by a 180° rotation around its bond with the triazole ring. The planar triazole ring makes dihedral angles of 81.1(2) and 78.4(4)° with the two phenyl rings. Around the inversion centre, the molecules exist as an N—H⋯ hydrogen-bonded dimer.
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In the title compound, the C=C double bond exists in an E configuration. The cyclopentenyl ring adopts a flattened envelope conformation. In the solid state, the molecules are stacked along the a axis.
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The title compound has two crystallographically independent molecules in the asymmetric unit. In molecule B, all three tert-butyldimethylsilyloxymethyl side chains are positioned on the same side of the aromatic ring plane, but only two of them are on the same side in molecule A.
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3-(3-Bromopropyl)-5-nitro-1H-indole, C11H11BrN2O2, and 3-(3-hydroxypropyl)-5-nitro-1H-indole, C11H12N2O3, both have their propyl subunits in the synclinal–synclinal conformation. Bond distances to the terminal substituent on the propyl group are: Br—C 1.955(2) and O—C 1.428(2)Å.
inorganic compounds
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Ammonium cobalt orthophosphate hydrate, a synthetic analogue of the ineral niahite, forms two-dimensional four-connected nets of [CoO6] octahedra sharing vertices. Each square mesh is capped by [PO4] tetrahedra sharing an edge and a vertex.
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The structure of Ba3Mn2O8 has been refined using powder neutron diffraction. It consists of MnO43- tetrahedra separated by barium ions in six- and 12-fold coordination.
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A synthetic route to single crystals of monoclinic NH4VO(NH3)PO4 has been found. The results of the single-crystal structure analysis are discussed.
metal-organic compounds
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organic compounds
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