Crystal structure of methyl 7-phenyl-6a,7,7a,8,9,10-hexahydro-6H,11aH-thiochromeno[3,4-b]pyrrolizine-6a-carboxylate

In the title compound, C22H23NO2S, the inner pyrrolidine ring (A) adopts an envelope conformation with the methine C atom opposite the fused C—N bond as the flap. The thiopyran ring (C) has a half-chair conformation and its mean plane is inclined to the fused benzene ring by 1.74 (11)°, and by 60.52...

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Published inActa crystallographica. Section E, Crystallographic communications Vol. 71; no. 8; pp. o627 - o628
Main Authors M. P. Savithri, M. Suresh, R. Raghunathan, R. Raja, A. SubbiahPandi
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.08.2015
Subjects
crystal structure
C—H...O hydrogen bonds
inversion dimers
pyrrolidine
pyrrolizine
thiochromane
thiopyran
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Summary:In the title compound, C22H23NO2S, the inner pyrrolidine ring (A) adopts an envelope conformation with the methine C atom opposite the fused C—N bond as the flap. The thiopyran ring (C) has a half-chair conformation and its mean plane is inclined to the fused benzene ring by 1.74 (11)°, and by 60.52 (11)° to the mean plane of pyrrolidine ring A. In the outer pyrrolidine ring (B), the C atom opposite the fused C—N bond is disordered [site-occupancy ratio = 0.427 (13):0.573 (13)] and both rings have envelope conformations, with the disordered C atom as the flap. The planes of the phenyl ring and the benzene ring of the thiochromane unit are inclined to one another by 65.52 (14)°. In the crystal, molecules are linked by a pair of C—H...O hydrogen bonds forming inversion dimers.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015014024