Crystal structure of methyl 7-phenyl-6a,7,7a,8,9,10-hexa-hydro-6H,11aH-thio-chromeno[3,4-b]pyrrolizine-6a--carbox-ylate.

ABSTRACT: 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 thio-pyran 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 thio-chromane unit are inclined to one another by 65.52?(14)°. In the crystal, mol-ecules are linked by a pair of C-H?O hydrogen bonds forming inversion dimers.

SUBMITTER: Savithri MP 

PROVIDER: S-EPMC4571432 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature