2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid

The title compound, C(18)H(17)NO(4), crystallizes with two indepen­dent mol­ecules in the asymmetric unit. The pyrrolidine ring in one mol­ecule is disordered over two positions, with refined site-occupancy factors of 0.853 (5) and 0.147 (5). The dihedral angles between the planes of the benzene rin...

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Detalles Bibliográficos
Autores principales: Gao, Yun-Long, Wang, Jian-Wu
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968880/
https://www.ncbi.nlm.nih.gov/pubmed/21582636
http://dx.doi.org/10.1107/S1600536809011349
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author Gao, Yun-Long
Wang, Jian-Wu
author_facet Gao, Yun-Long
Wang, Jian-Wu
author_sort Gao, Yun-Long
collection PubMed
description The title compound, C(18)H(17)NO(4), crystallizes with two indepen­dent mol­ecules in the asymmetric unit. The pyrrolidine ring in one mol­ecule is disordered over two positions, with refined site-occupancy factors of 0.853 (5) and 0.147 (5). The dihedral angles between the planes of the benzene rings in the two independent mol­ecules are 56.8 (2) and 68.2 (5)°. The mol­ecular conformations are stabilized by intra­molecular O—H⋯O hydrogen bonds. In the crystal structure, mol­ecules are linked by inter­molecular O—H⋯O hydrogen bonds, forming dimers and generating rings of graph-set motif R (2) (2)(8).
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spelling pubmed-29688802010-12-30 2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid Gao, Yun-Long Wang, Jian-Wu Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(17)NO(4), crystallizes with two indepen­dent mol­ecules in the asymmetric unit. The pyrrolidine ring in one mol­ecule is disordered over two positions, with refined site-occupancy factors of 0.853 (5) and 0.147 (5). The dihedral angles between the planes of the benzene rings in the two independent mol­ecules are 56.8 (2) and 68.2 (5)°. The mol­ecular conformations are stabilized by intra­molecular O—H⋯O hydrogen bonds. In the crystal structure, mol­ecules are linked by inter­molecular O—H⋯O hydrogen bonds, forming dimers and generating rings of graph-set motif R (2) (2)(8). International Union of Crystallography 2009-03-31 /pmc/articles/PMC2968880/ /pubmed/21582636 http://dx.doi.org/10.1107/S1600536809011349 Text en © Gao and Wang 2009 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
Gao, Yun-Long
Wang, Jian-Wu
2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
title 2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
title_full 2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
title_fullStr 2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
title_full_unstemmed 2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
title_short 2-[2-Hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
title_sort 2-[2-hydr­oxy-4-(pyrrolidin-1-yl)benzo­yl]benzoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968880/
https://www.ncbi.nlm.nih.gov/pubmed/21582636
http://dx.doi.org/10.1107/S1600536809011349
work_keys_str_mv AT gaoyunlong 22hydroxy4pyrrolidin1ylbenzoylbenzoicacid
AT wangjianwu 22hydroxy4pyrrolidin1ylbenzoylbenzoicacid

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