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{2-[(1H-Indol-3-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phen-3-yl}(phen-yl)methanone.

ABSTRACT: The title compound, C24H20N2OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, in each of which the cyclo-hexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thio-phene rings by 69.0?(7) and 8.3?(5)°, respectively, in mol-ecule A and by 65.4?(9) and 6.7?(5)°, respectively, in mol-ecule B. The dihedral angles between the mean planes of the phenyl and thio-phene rings are 63.0?(4) and 58.8?(9)° in mol-ecules A and B, respectively. In the crystal, N-H?O hydrogen bonds lead to the formation of an infinite chain along [101]. In addition, ?-? stacking inter-actions are observed involving the thio-phene and pyrrole rings of the two mol-ecules, with a shortest inter-centroid distance of 3.468?(2)?Å.

SUBMITTER: Kaur M

PROVIDER: S-EPMC3998588 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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{2-[(1H-Indol-3-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-benzo[b]thio-phen-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 20140329 Pt 4

The title compound, C24H20N2OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, in each of which the cyclo-hexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thio-phene rings by 69.0 (7) and 8.3 (5)°, respectively, in mol-ecule A and by 65.4 (9) and 6.7 (5)°, respectively, in mol-ecule B. The dihedral angles between the mean planes of the phenyl and thio-phene rings are 63.0 (4) and 58.8 (9)° in mo ...[more]

PMID: 24826189

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