Crystal structure of ethyl (E)-2-cyano-3-(thio-phen-2-yl)acrylate: two conformers forming a discrete disorder.
Acta Crystallogr E Crystallogr Commun
; 73(Pt 9): 1287-1289, 2017 Sep 01.
Article
em En
| MEDLINE
| ID: mdl-28932456
In the title compound, C10H9NO2S, all the non-H atoms, except for the ethyl fragment, lie nearly in the same plane. Despite the mol-ecular planarity, the ethyl fragment presents more than one conformation, giving rise to a discrete disorder, which was modelled with two different crystallographic sites for the eth-oxy O and eth-oxy α-C atoms, with occupancy values of 0.5. In the crystal, the three-dimensional array is mainly directed by C-Hâ¯(O,N) inter-actions, giving rise to inversion dimers with R22(10) and R22(14) motifs and infinite chains running along the [100] direction.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Ano de publicação:
2017
Tipo de documento:
Article
País de afiliação:
Colômbia
País de publicação:
Reino Unido