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Pyramidalization of a carbonyl C atom in (2S)-N-(selenoacetyl)proline methyl ester
The title compound, C(8)H(13)NO(2)Se, crystallizes as a non-merohedral twin with an approximate 9:1 component ratio with two symmetry-independent molecules in the asymmetric unit. Our density-functional theory (DFT) computations indicate that the carboxy C atom is expected to be slightly pyramidal...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648325/ https://www.ncbi.nlm.nih.gov/pubmed/23723945 http://dx.doi.org/10.1107/S1600536813011112 |