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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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 |
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. |
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