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Journal logoIUCrDATA
ISSN: 2414-3146

March 2017 issue

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Cover illustration: In the solid state, sodium 2,3-dioxo­indole-5-sulfonate dihydrate forms a one-dimensional coordination polymer, further linked into a three-dimensional network through N-H...O, C-H...O, O-H...O and [pi]-[pi] inter­actions. See: Mills-Robles, Desikan, Golen & Manke [IUCrData (2017). 2, x170440].

metal-organic compounds


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A redetermination of the crystal structure of potassium tetra­cyanidoaurate(III) monohydrate has been performed with single-crystal X-ray diffraction data at 173 K to improve the previous model obtained from neutron diffraction data.

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In the crystal, mol­ecules are connected by N—H⋯Cl hydrogen bond, forming ribbons along [110].

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In the solid state, sodium 2,3-dioxo­indole-5-sulfonate dihydrate forms a one-dimensional coordination polymer, further linked into a three-dimensional network through N—H⋯O, C—H⋯O, O—H⋯O and π–π inter­actions.

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In trans-(S,S)-[FeBr(CO)(PPh2CH2CH2NHCHPhCHPhNCHCH2PCy2)]BPh4, the FeII ion is in a distorted octa­hedral complex geometry with a cis-β ligand geometry in which two diastereomers co-crystallized in the asymmetric unit. These diastereomers differ by the orientation of the N—H moieties on the ligand; one is in the S conformation, and the other R.

organic compounds


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In the title cyano derivative, mol­ecules are linked via weak C—H⋯N hydrogen bonds, forming C(5) chains along [010].

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In the crystal of the title compound, mol­ecules are linked by N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds and Br⋯O inter­actions, forming sheets parallel to the (1\overline{2}3) plane.

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The mol­ecule of the title sulfonamide compound is U-shaped, with the dihedral angle between the benzene rings being 57.0 (2)°. In the crystal, mol­ecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along [100].

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The mol­ecular and crystal structure of the title sulfonamide derivative is reported. Crystal packing is stabilized by classical and non-classical hydrogen bonds, a halogen bond and π–π contacts.

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The whole mol­ecule of the title compound, a radical initiator known as VAZO-88, is generated by inversion symmetry. The mid-point of the N=N bond is situated on the inversion centre.

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In the crystal, inversion dimers linked by pairs of double-acceptor (C—H)2⋯O hydrogen bonds are seen. Further C—H⋯O inter­actions link the dimers into (010) sheets.

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The title naphthalene derivative was synthesized in three steps from a mixture of α-, β- and γ-himachalene, which was isolated from an essential oil of the Atlas cedar (Cedrus atlantica).

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

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The mol­ecule of the title pyridazin-3-one derivative of 1,3,4-oxa­diazole is considerably twisted. While the phenyl and the oxa­diazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°, they lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively.

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In the title compound, the dihedral angle between the coumarin ring system and the phenyl ring is 55.96 (8)°. In the crystal, weak C—H⋯O inter­actions connect the mol­ecules into a three-dimensional network and aromatic π–π stacking inter­actions are also observed.

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The mol­ecular and crystal structure of the title chalcone derivative is reported. The olefinic double bond adopts an E configuration.

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Mol­ecules of 7-methyl­isatin dimerize in the solid state through N—H⋯O hydrogen bonds. π–π inter­actions further link these mol­ecules along the b axis.

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Stacking and weak inter­molecular inter­actions generate a supra­molecular sheet.

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The mol­ecular structure of the title compound is stabilized by a weak intra­molecular O—H⋯N hydrogen bond.

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The title compound as structural similarities to the alkaloid galanthamine, used in the treatment of Alzheimer's disease. The structure consists of a fused three-ring system comprising benzene and cyclo­hexenone fused to a central furan ring. The crystal structure features weak inter­molecular C—H⋯O inter­actions.

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The title compound lies about an inversion center. The four-membered Si2N2 core is planar, with the two pyridyl rings placed centrosymetrically on either side of the Si2N2 plane. The pyridyl and Si2N2 rings are almost coplanar.

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In the title compound, the indoline and thio­phene moieties are only 2.01 (2)° from coplanarity. The isoxazole ring adopts an envelope conformation, with the methine C atom as the flap, and its mean plane is inclined to the thio­phene and indoline ring mean planes by 19.78 (14) and 20.83 (12)°, respectively.

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The cation is protonated at the pyridine N atom and the anion is deprotonated at one of the hy­droxy O atoms. The crystal structure is stabilized by inter-ionic N—H⋯O hydrogen bonds and π–π inter­actions between the anions.

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The mol­ecular and crystal structure of the title iso­quinoline derivative is reported. A combination of O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds form zigzag chains along the c-axis direction.

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In the title compound, the mol­ecule is built from fused six- and seven-membered rings and an additional three-membered ring

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In the title compound, the pendant ethyl chain has an extended conformation and the meth­oxy­phenyl ring is twisted by 28.81 (5)° with respect to the benzimidazole ring system at a dihedral angle of 28.81 (5)°. In the crystal, mol­ecules are linked by weak C—H⋯π and π–π stacking inter­actions.

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The title compound is an important pharmacophore mol­ecule exhibiting a number of biological activities. The fused three-ring system is planar apart from the hy­droxy-substituted C atom that deviates from the mean plane through the other 12 atoms by 0.737 (1) Å.

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In the title compound, the seven-membered ring adopts a boat conformation with the Br substituent in an axial position. In the crystal, the mol­ecules form centrosymmetric dimers via pairs of N—H⋯O hydrogen bonds.

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In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into supra­molecular chains propagating along the a-axis direction.

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The synthesis and crystal structure of cis-[3-(2-chloro-6-methyl­quinolin-3-yl)oxiran-2-yl](p-tol­yl)methanone are reported. The mol­ecule crystallizes with Z = 2 in space group P\overline{1}. In the crystal, weak C—H⋯O and C—H⋯Cl inter­actions link the mol­ecules into [100] chains.

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The asymmetric unit of the title compound comprises two independent mol­ecules. The packing features N—O⋯π inter­actions.

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The asymmetric unit of the title cystosinium salt derivative contains two cytosinium cations, one tartaric acid anion and a water mol­ecule. The crystal structure features C—H⋯O, N—H⋯O and O—H⋯O inter­actions. Further C—H⋯π and π–π inter­actions are observed along the ab plane, contributing to the crystal stability.

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The title compound, 2C36H39N3O4·H2O, is a linear π-conjugated ladder oligomer with an alkyl chain on the central nitro­gen atom. This diindolocarbazole, prepared via twofold Cadogan reaction, adopts a sligthly convex shape, anti to the disordered octyl group. The unit cell contains nine mol­ecules of the title compound and half a water mol­ecule per main mol­ecule. The water mol­ecule forms hydrogen bridges, connecting the carbazole-NH and meth­oxy groups of different mol­ecules.

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In the title a 2-heteroaryl benzimidazole derivative, the benzimidazole and julolidine moieties form a dihedral angle of 40.9 (1)°. Inter­molecular N—H⋯N hydrogen bonds link the imidazole rings in the crystal, forming chains along the c-axis direction.

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5,7-Di­methyl­isatin crystallizes with four mol­ecules in the asymmetric unit: these mol­ecules dimerize through pairs of N—H⋯O hydrogen bonds.

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The cation of the title mol­ecular salt is almost planar, with the pyridine and pyridinium rings being inclined to the central thia­diazole ring by 6.51 (9) and 9.13 (9)°, respectively.

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In the title compound, all the acetyl residues are twisted with respect to the rings (A, B and C) to which they are attached. The dihedral angle between the mean planes of rings C and D is 4.70 (11)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional structure.
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