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Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate

In the cation of the title mol­ecular salt, C(13)H(20)NO(+)·C(7)H(5)ClNO(2) (−), the five-membered ring adopts a twisted conformation about one of the C—N bonds. The exocyclic N—C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring i...

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Detalles Bibliográficos
Autores principales: Li, Yunli, Li, Zhanjun, Hu, Yanjie, Li, Wen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571409/
https://www.ncbi.nlm.nih.gov/pubmed/26396809
http://dx.doi.org/10.1107/S2056989015013389
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author Li, Yunli
Li, Zhanjun
Hu, Yanjie
Li, Wen
author_facet Li, Yunli
Li, Zhanjun
Hu, Yanjie
Li, Wen
author_sort Li, Yunli
collection PubMed
description In the cation of the title mol­ecular salt, C(13)H(20)NO(+)·C(7)H(5)ClNO(2) (−), the five-membered ring adopts a twisted conformation about one of the C—N bonds. The exocyclic N—C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring is 76.56 (19)°. In the anion, the dihedral angle between the carboxyl­ate group and the benzene ring is 18.57 (14)°, and an intra­molecular N—H⋯O hydrogen bond closes an S(6) ring. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating [100] chains.
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spelling pubmed-45714092015-09-22 Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate Li, Yunli Li, Zhanjun Hu, Yanjie Li, Wen Acta Crystallogr E Crystallogr Commun Data Reports In the cation of the title mol­ecular salt, C(13)H(20)NO(+)·C(7)H(5)ClNO(2) (−), the five-membered ring adopts a twisted conformation about one of the C—N bonds. The exocyclic N—C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring is 76.56 (19)°. In the anion, the dihedral angle between the carboxyl­ate group and the benzene ring is 18.57 (14)°, and an intra­molecular N—H⋯O hydrogen bond closes an S(6) ring. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating [100] chains. International Union of Crystallography 2015-07-17 /pmc/articles/PMC4571409/ /pubmed/26396809 http://dx.doi.org/10.1107/S2056989015013389 Text en © Li 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
Li, Yunli
Li, Zhanjun
Hu, Yanjie
Li, Wen
Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
title Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
title_full Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
title_fullStr Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
title_full_unstemmed Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
title_short Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
title_sort crystal structure of 1-[(1s,2r)-2-hydroxy-1-methyl-2-phenyl­eth­yl]pyrrolidinium 2-amino-5-chloro­benzoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571409/
https://www.ncbi.nlm.nih.gov/pubmed/26396809
http://dx.doi.org/10.1107/S2056989015013389
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