23 research outputs found

    (Z)-N-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline

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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 Br...F contacts [3.276 (2) and 3.284 (2) Å], thus forming two types of crystallographically independent chains

    (E)-1,5-Diphenylpent-2-en-4-yn-1-one

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    The title compound, C17H12O, has an E conformation about the C=C bond. The C—C[triple-bond]C—C torsion angle is 7.7 (2)°, and the mean planes of the phenylethylenone [r.m.s. deviation = 0.059 (1) Å] and phenylacetylene [r.m.s. deviation = 0.023 (1) Å] fragments form a dihedral angle of 14.16 (7)°. In the crystal, weak C—H...O interactions link the molecules into zigzag chains propagated in [010]

    7-Nitro-2-phenylimidazo[2,1-b][1,3]benzothiazole

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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 S...O [2.9922 (10) and 3.1988 (11) Å] interactions, forming a three-dimensional framework

    3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole

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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 Br...N interactions [3.1861 (16) Å]. The chains are arranged at van der Waals distances

    2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone

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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—H...O and C—H...N hydrogen bonds and secondary Br...Br [3.5991 (8) and 3.6503 (9) Å] interactions

    2-Bromo-4-phenyl-1,3-thiazole

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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 S...Br contacts of 3.5402 (6) Å

    6-(4-Chlorophenyl)-3-methylimidazo[2,1-b]thiazole

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    In the title compound, C12H9ClN2S, the imidazo[2,1-b]thiazole fragment is planar (r.m.s. deviation = 0.003 Å), and the benzene ring is twisted slightly [by 5.65 (6)°] relative to this moiety. In the crystal, molecules are linked by π–π stacking interactions into columns along [010]. The molecules within the columns are arranged alternatively by their planar rotation of 180°. Thus, in the columns, there are the two types of π–π stacking interactions, namely, (i) between two imidazo[2,1-b]thiazole fragments [interplanar distance = 3.351 (2) Å] and (ii) between an imidazo[2,1-b]thiazole fragment and the phenyl ring [interplanar distance = 3.410 (5) Å]. There are no short contacts between the columns
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