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Methyl 2-(2-hydroxy-benzyl-ideneamino)-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate.

ABSTRACT: In the title compound, C(17)H(17)NO(3)S, the cyclohexene ring is essentially planar, with a maximum deviation of 0.006?(1)?Å. The cyclo-hexene ring adopts a half-chair conformation. The dihedral angle between the thio-phene and benzene rings is 29.7?(1)°. The mol-ecular structure exhibits intra-molecular O-H?O, O-H?N and C-H?S hydrogen bonds, which generate one S(5) and two S(6) motifs. There is also a C-H?? inter-action between the cyclo-hexene ring system and the ?-system of the benzene ring.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC2961328 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Methyl 2-(2-hydroxy-benzyl-ideneamino)-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate.

Akkurt Mehmet M Karaca Selvi S Asiri Abdullah Mohamed AM Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20080418 Pt 5

In the title compound, C(17)H(17)NO(3)S, the cyclohexene ring is essentially planar, with a maximum deviation of 0.006 (1) Å. The cyclo-hexene ring adopts a half-chair conformation. The dihedral angle between the thio-phene and benzene rings is 29.7 (1)°. The mol-ecular structure exhibits intra-molecular O-H⋯O, O-H⋯N and C-H⋯S hydrogen bonds, which generate one S(5) and two S(6) motifs. There is also a C-H⋯π inter-action between the cyclo-hexene ring system and the π-system of the benzene ring. ...[more]

PMID: 21202355

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