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

Journal Article

Print(0)

Acta crystallographica.Section E, Crystallographic communications

Acta Crystallogr.E.Crystallogr.Commun.

1-Jan

Pt 1

o41

LR: 20150225; JID: 101648987; OID: NLM: PMC4331902; OTO: NOTNLM; 2015/01/01 [ecollection]; 2014/12/04 [received]; 2014/12/04 [accepted]; epublish

England

2056-9890

PMID: 25705497

eng

Journal Article

10.1107/S2056989014026711 [doi]

Unknown(0)

25705497

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) A] by 56.8 (2), 83.8 (5) and 87.1 (2) degrees , respectively. There is an intra-molecular C-Hcdots, three dots, centeredO 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-Hcdots, three dots, centeredO hydrogen bonds, forming chains along [100]. The chains are linked by further C-Hcdots, three dots, centeredO hydrogen bonds, forming corrugated layers lying parallel to (001).

Zarate,A., Aparicio,D., Palillero,A., Mendoza,A.

Centro de Quimica, ICUAP, Benemerita Universidad Autonoma de Puebla, 72570, Puebla, Puebla, Mexico.; Centro de Quimica, ICUAP, Benemerita Universidad Autonoma de Puebla, 72570, Puebla, Puebla, Mexico.; Centro de Quimica, ICUAP, Benemerita Universidad Auto

20150101

PMC4331902

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=25705497

2015