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N-Butoxycarbonyl-5-oxo-l-proline ethyl ester
The molecular structure of the title compound, C(12)H(19)NO(5), may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C—H⋯O interactions assuming significance in optimizing supramolecular aggregation in crysta...
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/PMC3629616/ https://www.ncbi.nlm.nih.gov/pubmed/23634103 http://dx.doi.org/10.1107/S1600536813007265 |
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author | Rajalakshmi, P. Srinivasan, N. Krishnakumar, R.V. Razak, Ibrahim Abdul Rosli, Mohd Mustaqim |
author_facet | Rajalakshmi, P. Srinivasan, N. Krishnakumar, R.V. Razak, Ibrahim Abdul Rosli, Mohd Mustaqim |
author_sort | Rajalakshmi, P. |
collection | PubMed |
description | The molecular structure of the title compound, C(12)H(19)NO(5), may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C—H⋯O interactions assuming significance in optimizing supramolecular aggregation in crystals in a molecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T (2)) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R (2) (4)(10) and R (3) (4)(26) ring motifs formed by four weak C—H⋯O interactions, leading to supramolecular sheets lying parallel to the bc plane. |
format | Online Article Text |
id | pubmed-3629616 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36296162013-04-30 N-Butoxycarbonyl-5-oxo-l-proline ethyl ester Rajalakshmi, P. Srinivasan, N. Krishnakumar, R.V. Razak, Ibrahim Abdul Rosli, Mohd Mustaqim Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecular structure of the title compound, C(12)H(19)NO(5), may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C—H⋯O interactions assuming significance in optimizing supramolecular aggregation in crystals in a molecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T (2)) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R (2) (4)(10) and R (3) (4)(26) ring motifs formed by four weak C—H⋯O interactions, leading to supramolecular sheets lying parallel to the bc plane. International Union of Crystallography 2013-03-23 /pmc/articles/PMC3629616/ /pubmed/23634103 http://dx.doi.org/10.1107/S1600536813007265 Text en © Rajalakshmi et al. 2013 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 | Organic Papers Rajalakshmi, P. Srinivasan, N. Krishnakumar, R.V. Razak, Ibrahim Abdul Rosli, Mohd Mustaqim N-Butoxycarbonyl-5-oxo-l-proline ethyl ester |
title |
N-Butoxycarbonyl-5-oxo-l-proline ethyl ester |
title_full |
N-Butoxycarbonyl-5-oxo-l-proline ethyl ester |
title_fullStr |
N-Butoxycarbonyl-5-oxo-l-proline ethyl ester |
title_full_unstemmed |
N-Butoxycarbonyl-5-oxo-l-proline ethyl ester |
title_short |
N-Butoxycarbonyl-5-oxo-l-proline ethyl ester |
title_sort | n-butoxycarbonyl-5-oxo-l-proline ethyl ester |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629616/ https://www.ncbi.nlm.nih.gov/pubmed/23634103 http://dx.doi.org/10.1107/S1600536813007265 |
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