Crystal structure of (2S,4R)-ethyl 4-nitro-methyl-1-[(S)-1-phenyl-eth-yl]-6-sulfanyl-idene-piperidine-2-carboxyl-ate.

ABSTRACT: In the title compound, C17H22N2O4S, a thio-piperidine derivative, the piperidine ring has an envelope conformation with the methyl-ene C atom opposite to the C=S bond as the flap. The nitro-methyl substituent is equatorial while the eth-oxy-carbonyl group is axial. The mean planes of the nitro-methyl group, the carb-oxy group and phenyl ring are inclined to the mean plane through the five planar atoms of the piperidine ring [maximum deviation = 0.070?(4)?Å] by 56.8?(2), 83.8?(5) and 87.1?(2)°, respectively. There is an intra-molecular C-H?O hydrogen bond involving an H atom of the eth-oxy-carbonyl group and a nitro O atom. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains along [100]. The chains are linked by further C-H?O hydrogen bonds, forming corrugated layers lying parallel to (001).

SUBMITTER: Zarate A 

PROVIDER: S-EPMC4331902 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other