Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). E69, o708    [ doi:10.1107/S1600536813009598 ]


R. Selvakumar, M. Bakthadoss, S. Vijayakumar and S. Murugavel

Abstract: In the title compound, C18H17NO3S, the thia­zepine ring adopts a slightly distorted twist-boat conformation. The dihedral angle between the mean plane of the benzo­thia­zepin ring system and the benzene ring is 60.3 (1)°. In the crystal, mol­ecules are linked by two pairs of inversion-related N-H...O and C-H...O hydrogen bonds, generating alternating R22(8) and R22(6) ring motifs, respectively, in a zigzag supra­molecular chain that runs along the c axis. These chains stack along the a axis via S...C [3.424 (2) Å] contacts. A three-dimensional supra­molecular network is consolidated by C-H...[pi] and [pi]-[pi] inter­actions [inter-centroid distance between di­meth­oxy­benzene rings = 3.815 (1) Å]. The crystal studied was a non-merohedral twin, with a refined value of the minor twin fraction of 0.2477 (6) .

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