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2-(2-Nitro-anilino)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile.

ABSTRACT: The title compound, C(15)H(13)N(3)O(2)S, was synthesized by the reaction of 2-amino-5,6,7,8-tetra-hydro-4H-cyclo-hepta-[b]thio-phene-3-carbonitrile and o-fluoro-nitro-benzene. The dihedral angle between the thio-phene and nitro-phenyl rings is 75.15?(2)°. In the crystal, inter-molecular N-H?N and C-H?O inter-actions lead to the formation of a supra-molecular chain extending along the c-axis direction.

SUBMITTER: Mendonca Junior FJ

PROVIDER: S-EPMC2983395 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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2-(2-Nitro-anilino)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile.

Mendonça Junior Francisco J B FJ de Lima Maria do Carmo A Mdo C Galdino Suely L SL Pitta Ivan R IR de Simone Carlos A CA

Acta crystallographica. Section E, Structure reports online 20100911 Pt 10

The title compound, C(15)H(13)N(3)O(2)S, was synthesized by the reaction of 2-amino-5,6,7,8-tetra-hydro-4H-cyclo-hepta-[b]thio-phene-3-carbonitrile and o-fluoro-nitro-benzene. The dihedral angle between the thio-phene and nitro-phenyl rings is 75.15 (2)°. In the crystal, inter-molecular N-H⋯N and C-H⋯O inter-actions lead to the formation of a supra-molecular chain extending along the c-axis direction. ...[more]

PMID: 21587533

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2-Amino-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile.

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2-[(2-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

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Ethyl 2-(3,3-dibutyl-thio-ureido)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carboxyl-ate.

Project description:In the title compound, C(20)H(32)N(2)O(2)S(2), the cyclo-hexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond.

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Project description:The title compound, C(17)H(14)N(2)O(2)S, crystallizes with two roughly planar mol-ecules in the asymmetric unit, in which the dihedral angles between the 1,3-benzodioxole-5-carbaldehyde moiety and the heterocyclic five-membered ring are 3.76?(5) and 5.33?(12)°. In each mol-ecule, a short C-H?S contact generates an S(5) ring. In the crystal, pairs of mol-ecules are linked by a weak C-H?N inter-action, forming dimers.

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2-Anilino-4-(1,3-benzothia-zol-2-yl)-5-(4-chloro-benzo-yl)thio-phene-3-carbonitrile.

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