Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate

The title compound, C(13)H(13)NO(4) (also known as N-benzyl­oxycarbonyl-4-hy­droxy-l-proline lactone), crystallizes with two mol­ecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C—O—C—C torsion angles for the central chai...

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Autores principales: Krishnamurthy, Suvratha, Jalli, Venkataprasad, Vagvala, Tarun Chand, Moriguchi, Tetsuji, Tsuge, Akihiko
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518953/
https://www.ncbi.nlm.nih.gov/pubmed/26279900
http://dx.doi.org/10.1107/S2056989015010464
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author Krishnamurthy, Suvratha
Jalli, Venkataprasad
Vagvala, Tarun Chand
Moriguchi, Tetsuji
Tsuge, Akihiko
author_facet Krishnamurthy, Suvratha
Jalli, Venkataprasad
Vagvala, Tarun Chand
Moriguchi, Tetsuji
Tsuge, Akihiko
author_sort Krishnamurthy, Suvratha
collection PubMed
description The title compound, C(13)H(13)NO(4) (also known as N-benzyl­oxycarbonyl-4-hy­droxy-l-proline lactone), crystallizes with two mol­ecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C—O—C—C torsion angles for the central chains of −155.5 (2) and −178.6 (2)° lead to different twists for the terminal benzene ring. In the crystal, the mol­ecules are linked by C—H⋯O inter­actions, generating a three-dimensional network. The absolute structure was established based on an unchanging chiral centre in the synthesis.
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spelling pubmed-45189532015-08-14 Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate Krishnamurthy, Suvratha Jalli, Venkataprasad Vagvala, Tarun Chand Moriguchi, Tetsuji Tsuge, Akihiko Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(13)H(13)NO(4) (also known as N-benzyl­oxycarbonyl-4-hy­droxy-l-proline lactone), crystallizes with two mol­ecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C—O—C—C torsion angles for the central chains of −155.5 (2) and −178.6 (2)° lead to different twists for the terminal benzene ring. In the crystal, the mol­ecules are linked by C—H⋯O inter­actions, generating a three-dimensional network. The absolute structure was established based on an unchanging chiral centre in the synthesis. International Union of Crystallography 2015-06-06 /pmc/articles/PMC4518953/ /pubmed/26279900 http://dx.doi.org/10.1107/S2056989015010464 Text en © Krishnamurthy 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
Krishnamurthy, Suvratha
Jalli, Venkataprasad
Vagvala, Tarun Chand
Moriguchi, Tetsuji
Tsuge, Akihiko
Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
title Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
title_full Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
title_fullStr Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
title_full_unstemmed Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
title_short Crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
title_sort crystal structure of benzyl 3-oxo-2-oxa-5-aza­bicyclo­[2.2.1]heptane-5-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518953/
https://www.ncbi.nlm.nih.gov/pubmed/26279900
http://dx.doi.org/10.1107/S2056989015010464
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