Cargando…
Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate
In the title compound, C(13)H(15)NO(4), the oxopyrrolidin-3-yl ring has an envelope conformation, with the C atom bearing the acetate group being the flap. The acetate and phenyl groups are inclined with respect to the central ring, forming dihedral angles of 50.20 (12) and 87.40 (9)°, respectively,...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571408/ https://www.ncbi.nlm.nih.gov/pubmed/26396808 http://dx.doi.org/10.1107/S2056989015013353 |
_version_ | 1782390335222054912 |
---|---|
author | Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Ali, Bakhat Tiekink, Edward R. T. |
author_facet | Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Ali, Bakhat Tiekink, Edward R. T. |
author_sort | Caracelli, Ignez |
collection | PubMed |
description | In the title compound, C(13)H(15)NO(4), the oxopyrrolidin-3-yl ring has an envelope conformation, with the C atom bearing the acetate group being the flap. The acetate and phenyl groups are inclined with respect to the central ring, forming dihedral angles of 50.20 (12) and 87.40 (9)°, respectively, with the least-squares plane through the ring. The dihedral angle between the acetate group and the phenyl ring is 63.22 (8)°, indicating a twisted conformation in the molecule. In the crystal, supramolecular chains along the b axis are formed by (hydroxy)O—H⋯O(ring carbonyl) hydrogen bonds. The chains are consolidated into the three-dimensional architecture by C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-4571408 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45714082015-09-22 Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Ali, Bakhat Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(13)H(15)NO(4), the oxopyrrolidin-3-yl ring has an envelope conformation, with the C atom bearing the acetate group being the flap. The acetate and phenyl groups are inclined with respect to the central ring, forming dihedral angles of 50.20 (12) and 87.40 (9)°, respectively, with the least-squares plane through the ring. The dihedral angle between the acetate group and the phenyl ring is 63.22 (8)°, indicating a twisted conformation in the molecule. In the crystal, supramolecular chains along the b axis are formed by (hydroxy)O—H⋯O(ring carbonyl) hydrogen bonds. The chains are consolidated into the three-dimensional architecture by C—H⋯O interactions. International Union of Crystallography 2015-07-17 /pmc/articles/PMC4571408/ /pubmed/26396808 http://dx.doi.org/10.1107/S2056989015013353 Text en © Caracelli et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Ali, Bakhat Tiekink, Edward R. T. Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
title | Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
title_full | Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
title_fullStr | Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
title_full_unstemmed | Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
title_short | Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
title_sort | crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571408/ https://www.ncbi.nlm.nih.gov/pubmed/26396808 http://dx.doi.org/10.1107/S2056989015013353 |
work_keys_str_mv | AT caracelliignez crystalstructureof1benzyl2hydroxy5oxopyrrolidin3ylacetate AT zukermanschpectorjulio crystalstructureof1benzyl2hydroxy5oxopyrrolidin3ylacetate AT stefanihelioa crystalstructureof1benzyl2hydroxy5oxopyrrolidin3ylacetate AT alibakhat crystalstructureof1benzyl2hydroxy5oxopyrrolidin3ylacetate AT tiekinkedwardrt crystalstructureof1benzyl2hydroxy5oxopyrrolidin3ylacetate |