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Crystal structure of ethyl (E)-2-cyano-3-(thio­phen-2-yl)acrylate: two conformers forming a discrete disorder

In the title compound, C(10)H(9)NO(2)S, all the non-H atoms, except for the ethyl fragment, lie nearly in the same plane. Despite the mol­ecular planarity, the ethyl fragment presents more than one conformation, giving rise to a discrete disorder, which was modelled with two different crystallograph...

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Detalles Bibliográficos
Autores principales: Castro Agudelo, Brian, Cárdenas, Juan C., Macías, Mario A., Ochoa-Puentes, Cristian, Sierra, Cesar A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588562/
https://www.ncbi.nlm.nih.gov/pubmed/28932456
http://dx.doi.org/10.1107/S2056989017010799
Descripción
Sumario:In the title compound, C(10)H(9)NO(2)S, all the non-H atoms, except for the ethyl fragment, lie nearly in the same plane. Despite the mol­ecular 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 eth­oxy O and eth­oxy α-C atoms, with occupancy values of 0.5. In the crystal, the three-dimensional array is mainly directed by C—H⋯(O,N) inter­actions, giving rise to inversion dimers with R (2) (2)(10) and R (2) (2)(14) motifs and infinite chains running along the [100] direction.