Acta Cryst. (2002). E58, o422-o425  [ doi:10.1107/S1600536802004580 ]

Diastereomers of 4-(2-hydroxyphenyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

F. Ansari, C. Fedorchuk, M. Parvez, S. Umbreen and S. Saghir

Abstract: The crystal structure of the title compound is composed of diastereomers of 4-(2-hydroxyphenyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine, C₂₁H₁₉NOS, that are cocrystallized. The asymmetric unit contains two molecules. One S and two C atoms of the heterocyclic ring in one molecule are disordered, resulting in two different conformers. The H atoms at the chiral centers in the ordered molecule are trans with respect to each other, cis in the other conformer. The average bond distances are: S-Csp³ 1.825 (2), S-Csp² 1.778 (8), N-Csp³ 1.495 (5), N-Csp² 1.415 (8), O-C_aromatic 1.380 (7), Csp³-Csp³ 1.533 (14), Csp³-C_aromatic 1.52 (2) and C-C_aromatic 1.382 (13) Å. The structure is stabilized by strong intra- and intermolecular hydrogen bonds.

Online 15 March 2002

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