organic compounds
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In the title molecule, C9H6BrNS, the planes of the 2-bromo-1,3-thiazole and phenyl rings are inclined at 7.45 (10)° with respect to each other. In the crystal, molecules related by a centre of symmetry are held together via π–π interactions, with a short distance of 3.815 (2) Å between the centroids of the five- and six-membered rings. The crystal packing exhibits short intermolecular SBr contacts of 3.5402 (6) Å.
organic compounds
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In the title molecule, C15H9N3O2S, the central imidazo[2,1-b][1,3]benzothiazole heterotricyclic unit is essentially planar (r.m.s. deviation = 0.021 Å). The terminal phenyl ring and nitro group are twisted by 9.06 (1) and 11.02 (4)°, respectively, from the mean plane of the heterotricycle. In the crystal, molecules are linked by π–π stacking interactions into columns along [100]; the interplanar distance between neighboring imidazo[2,1-b][1,3]benzothiazole planes within the columns is 3.370 (2) Å. Furthermore, the columns interact with each other by secondary SO [2.9922 (10) and 3.1988 (11) Å] interactions, forming a three-dimensional framework.
metal-organic compounds
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The title compound, [Fe(C7H9N2)2], crystallizes with two crystallographically independent molecules in the unit cell. These represent the chiral atropoisomers distinguished by the mutual arrangement of the two acetyl–hydrazone groups with a cis conformation of the C=N bonds. The two cyclopentadienyl (Cp) rings are planar and nearly parallel, the tilt between the two rings being 3.16 (16)° [4.40 (18)° for the second independent molecule]. The conformation of the Cp rings is close to eclipsed, the twist angle being 0.1 (2)° [3.3 (2)°]. The two acetyl–hydrazone substituents are also planar and are inclined at 13.99 (15)/9.17 (16)° [6.83 (17)/14.59 (15)°] relative to the Cp rings. The Fe—C bond lengths range from 2.035 (3) to 2.065 (2) Å, with an average of 2.050 (3) Å [2.036 (3) to 2.069 (2), average 2.046 (3) Å], which agrees well with those reported for most ferrocene derivatives. In the crystal, the molecules form dimers via two strong N—HN hydrogen bonds. The dimers are linked into a three-dimensional framework by weak N—HN hydrogen bonds.
organic compounds
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The title compound, C10H8BrF3N2, crystallizes with two independent molecules in the asymmetric unit, which can be considered as being related by a pseudo-inversion center, so their conformations are different; the corresponding N=C—N—C torsion angles are 54.6 (5) and −50.5 (5)°. In the crystal, molecules related by translation in [001] interact through short intermolecular BrF contacts [3.276 (2) and 3.284 (2) Å], thus forming two types of crystallographically independent chains.
organic compounds
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In the title molecule, C16H15BrN2S2, the central imidazo[2,1-b]thiazole fragment is almost planar (r.m.s. deviation = 0.012 Å), and the fused 5,6,7,8-tetrahydrobenzene ring adopts an unsymmetrical half-chair conformation. The dihedral angle between the imidazo[2,1-b]thiazole and benzene planes is 18.25 (4)°. The terminal methylsulfanyl substituent lies practically within the benzene plane [the dihedral angle between the corresponding planes is 7.20 (10)°] and is turned toward the C—Br bond. In the crystal, molecules form infinite chains along [100] via secondary BrN interactions [3.1861 (16) Å]. The chains are arranged at van der Waals distances.
organic compounds
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The title compound, C15H14N2S, crystallizes with two independent molecules in the asymmetric unit. The central imidazo[2,1-b][1,3]benzothiazole unit is planar (r.m.s. deviations of 0.010 and 0.008 Å for the two independent molecules). The fused tetrahydrohexane ring adopts a half-chair conformation. The phenyl substituent is twisted by 16.96 (13) and 22.89 (12)° relative to the central imidazo[2,1-b][1,3]benzothiazole unit in the two molecules. In the crystal, there are no significant intermolecular interactions present.
organic compounds
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The asymmetric unit of the title compound, C11H9Br2N3O, contains two crystallographically independent molecules with similar geometries; the Br—C—C=O torsion angles are 1.2 (4) and −2.8 (4)°, and the benzene and triazole rings are inclined o one another by 51.90 (16) and 51.88 (16)°. The two molecules are related by a pseudo-screw 21 axis directed along [100]. In the crystal, molecules are linked into a three-dimensional network by weak C—HO and C—HN hydrogen bonds and secondary BrBr [3.5991 (8) and 3.6503 (9) Å] interactions.
Keywords: crystal structure.
data reports
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In an attempt to grow 8-hydroxyquinoline–acetaminophen co-crystals from equimolar amounts of conformers in a chloroform–ethanol solvent mixture at room temperature, the title compound, C9H7NO, was obtained. The molecule is planar, with the hydroxy H atom forming an intramolecular O—HN hydrogen bond. In the crystal, molecules form centrosymmetric dimers via two O—HN hydrogen bonds. Thus, the hydroxy H atoms are involved in bifurcated O—HN hydrogen bonds, leading to the formation of a central planar four-membered N2H2 ring. The dimers are bound by intermolecular π–π stacking [the shortest CC distance is 3.2997 (17) Å] and C—Hπ interactions into a three-dimensional framework. The crystal grown represents a new monoclinic polymorph in the space group P21/n. The molecular structure of the present monoclinic polymorph is very similar to that of the orthorhombic polymorph (space group Fdd2) studied previously [Roychowdhury et al. (1978). Acta Cryst. B34, 1047–1048; Banerjee & Saha (1986). Acta Cryst. C42, 1408–1411]. The structures of the two polymorphs are distinguished by the different geometries of the hydrogen-bonded dimers, which in the crystal of the orthorhombic polymorph possess twofold axis symmetry, with the central N2H2 ring adopting a butterfly conformation.
data reports
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In the title compound, C12H13NO2, the five-membered ring has an envelope conformation; the disubstituted C atom lies out of the mean plane through the four other ring atoms (r.m.s. deviation = 0.0038 Å) by 0.1877 (18) Å. The plane of the phenyl substituent is practically perpendicular to that of the planar part of the five-membered ring, with a dihedral angle of 87.01 (5)°. In the crystal, molecules are linked by weak C—HO hydrogen bonds, forming inversion dimers. The dimers are linked by further C—HO hydrogen bonds, as well as carbonyl–carbonyl attractive interactions [OC = 3.2879 (19) Å], forming a three-dimensional framework structure.