Crystal structure of ( Z )-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[ b ][1,4]thiazepin-4(5 H )-one

In the title compound, C 17 H 15 NO 2 S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H...O and...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-01, Vol.71 (1), p.o21-o22
Hauptverfasser: Vinayagam, V., Mohan Raj, J., Murugavel, S., Selvakumar, R., Bakthadoss, M.
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound, C 17 H 15 NO 2 S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H...O and C—H...O hydrogen bonds link inverted-related molecules into dimers, incorporating R 1 2 (6) and R 2 2 (8) ring motifs; the acceptor carbonyl O atom is bifurcated. These dimers are further linked by C—H...O hydrogen bonds, forming supramolecular tapes running along the a axis.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989014026267