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{2-[(2-Bromo-5-meth-oxy-benzyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thiophen-3-yl}(phen-yl)methanone.

ABSTRACT: In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.580?(11):0.420?(11). Both rings have a half-chair conformation. The dihedral angles between the mean plane of the thio-phene ring and the benzene and phenyl rings are 9.2?(2) and 66.1?(2)°, respectively. The benzene and phenyl rings are inclined to each other by 74.8?(8)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Kaur M

PROVIDER: S-EPMC4011278 | biostudies-other | 2014 May

REPOSITORIES: biostudies-other

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{2-[(2-Bromo-5-meth-oxy-benzyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thiophen-3-yl}(phen-yl)methanone.

Kaur Manpreet M Jasinski Jerry P JP Yamuna Thammarse S TS Yathirajan H S HS Byrappa K K

Acta crystallographica. Section E, Structure reports online 20140418 Pt 5

In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.580 (11):0.420 (11). Both rings have a half-chair conformation. The dihedral angles between the mean plane of the thio-phene ring and the benzene and phenyl rings are 9.2 (2) and 66.1 (2)°, respectively. The benzene and phenyl rings are inclined to each other by 74.8 (8)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen ...[more]

PMID: 24860382

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