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Journal logoIUCrDATA
ISSN: 2414-3146

June 2017 issue

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Cover illustration: Cyclic sulfamidates are valuable reactive inter­mediates, because ring-opening reactions proceed with total inversion at the stereogenic centre. The title compound represents such a building block derived from (R)-1-amino-2-propanol useful for the preparation of substituted [beta]-phenyl­ethyl­amines, an important class of pharmacologically active compounds. It crystallizes with two independent mol­ecules in the asymmetric unit. In the crystal, C-H...O inter­actions are observed. The apolar tert-butyl groups and the polar sulfamidate rings are arranged alternately in layers parallel to the bc plane. See: Laus, Wurst, Nerdinger, Richter & Schottenberger [IUCrData (2017). 2, x170869].

metal-organic compounds


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The distorted tetra­hedral coordination geometry about the cobalt(II) metal atom is provided by pairs of O and N atoms. The mol­ecular conformation features weak C—H⋯O hydrogen bonds.

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Crystallization of silver(I) chloride from tetra­hydro­thio­phene (THT) affords the labile dimeric complex [Ag2(μ-Cl)2(THT)4].

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The ReI atom in the cationic complex of the title compound is coordinated in a distorted octa­hedral fashion by one bidentate 2,2′-bi­pyrazine ligand, three CO ligands and one monodentate P-bonded bis­(di­phenyl­phosphino­methane) ligand.

organic compounds


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Intra- and inter­molecular hydrogen bridges control the crystal structure of the title compound.

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The title mol­ecule exhibits point group symmetry Ci.

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In the title di­hydro­pyrimidinone, the 3,4-di­hydro­pyrimidin-2(1H)-one ring displays a screw-boat conformation. The mean plane through this heterocycle is almost perpendicular to the prop-2-ynyl chain and to the benzene ring, with which it makes a dihedral angle of 87.63 (6)°.

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In the title compound, the piperidine ring adopts a chair conformation, and its mean plane is inclined to the benzene ring by 58.5 (3)°.

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In the title compound, the mean planes of the two pyran rings (A and B) are inclined to one another by 69.2 (1)°, while the aromatic ring (D) of the chromene ring system makes dihedral angles of 63.42 (11) and 66.81 (12)° with the pyrimidine (C) and benzene (E) rings, respectively.

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In the title mol­ecular salt, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilino­benzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine mol­ecule.

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The acetyl group is only slightly twisted out of the plane of the indazole moiety with its orientation assisted by an intra­molecular C—H⋯O hydrogen bonds. In the crystal, C—H⋯O and C—H⋯N hydrogen bonds form layers parallel to (100). These are associated into stacks by head-to-head π-stacking inter­actions of the indazole units along the a-axis direction.

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The mol­ecular and crystal structure of the title pyrazole–pyrazolone derivative is reported. The crystal structure is stabilized by N—H⋯O, C—H⋯O and C—H⋯π(ring) hydrogen bonds.

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The mol­ecular and crystal structure of the title 4,5-di­hydro­oxazole–triazole derivative is reported. The crystal packing is stabilized by C—H⋯N hydrogen bonds and C—H⋯π(ring) inter­actions.

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The chiral sulfamidate crystallizes with two independent mol­ecules in the asymmetric unit.

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The cyclo­heptane ring of the title compound adopts a chair conformation. In the crystal, the packing is dominated by van der Waals forces.

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The asymmetric unit of the title compound contains three independent mol­ecules with almost identical conformations.

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The mol­ecular and crystal structure of the title oxo­indole derivative is reported. π–π stacking together with C—H⋯F hydrogen bonds, stabilize the crystal structure.

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The mol­ecular and crystal structure of the title quinoxaline derivative is reported. The crystal structure is stabilized by C—H⋯O hydrogen bonds and weak π–π stacking inter­actions.

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In the title compound, C19H13BrClN3, the chloro­phenyl ring occupies an equatorial position with respect to the mean plane of the imidazo­pyridine ring, while the other phenyl ring is twisted by 4.1 (2)° with respect to the mean plane of the imidazo­pyridine. In the crystal, a weak inter­molecular C—H⋯Br inter­action links the mol­ecules into dimers.

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The title compound is related to a di­tosyl­ated 2-imino­benzo­thia­zole but differs from the latter regarding the arrangement of the phenyl rings.

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The title tetra­hydro­iso­quinoline derivative forms hydrogen-bonded inversion dimers in the crystal, which stack along the b-axis direction. The methyl acetate group attached to the S atom is disordered over two sites in a 50:50 ratio, which appears to prevent close inter­molecular contacts between the methyl groups.

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The crystal and mol­ecular structure of the title benzo­thia­zine derivative is reported. The crystal packing is features C—H⋯O hydrogen bonds.

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The title compound is centrosymmetric and the C—Se—Se bond angle is 92.77 (8)°.

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In 1-(1-benzyl-2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone, the dihedral angles between the planes of the pyrrole and phenyl rings are 47.04 (5) and 79.27 (3)°.

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The tetra­methyl­piperidine units of the title compound are in trans position to the P=P axis and the trans bent N—P—P—N skeleton is almost planar.

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The mol­ecular and crystal structure of the title benzimidazolone derivative is reported. The crystal structure features C—H⋯O and C—H⋯N hydrogen bonds.

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The mol­ecular and crystal structure of the title benzo­thia­zine derivative is reported. The crystal structure features C—H⋯O hydrogen bonds and π–π inter­actions.

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The mol­ecular and crystal structure of the title benzo­thia­zine derivative is reported The crystal structure features C—H⋯π(ring) and weak π–π stacking inter­actions.

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The title mol­ecule adopts a Z-shaped conformation, with the benzyl and benzo­diazole substituents disposed on opposite sides of the plane of the triazole ring. A three-dimensional network is generated in the crystal by a combination of C—H⋯N hydrogen bonds and C—H⋯π(ring) inter­actions.

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The mol­ecular and crystal structure of the title quinoline derivative is reported. The crystal structure is stabilized by C—H⋯O hydrogen bonds.
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