2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid

The title compound, C(16)H(13)ClO(3), is an important inter­mediate in the conversion of isocoumarin to 3,4-dihydro­isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into centrosymmet...

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Autores principales: Abid, Obaid-ur-Rahman, Qadeer, Ghulam, Rama, Nasim Hasan, Ruzicka, Ales
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959499/
https://www.ncbi.nlm.nih.gov/pubmed/21581063
http://dx.doi.org/10.1107/S160053680803451X
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author Abid, Obaid-ur-Rahman
Qadeer, Ghulam
Rama, Nasim Hasan
Ruzicka, Ales
author_facet Abid, Obaid-ur-Rahman
Qadeer, Ghulam
Rama, Nasim Hasan
Ruzicka, Ales
author_sort Abid, Obaid-ur-Rahman
collection PubMed
description The title compound, C(16)H(13)ClO(3), is an important inter­mediate in the conversion of isocoumarin to 3,4-dihydro­isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is also a C—H⋯π contact between the benzoic acid and 4-chloro­benzyl rings.
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spelling pubmed-29594992010-12-30 2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid Abid, Obaid-ur-Rahman Qadeer, Ghulam Rama, Nasim Hasan Ruzicka, Ales Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(13)ClO(3), is an important inter­mediate in the conversion of isocoumarin to 3,4-dihydro­isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is also a C—H⋯π contact between the benzoic acid and 4-chloro­benzyl rings. International Union of Crystallography 2008-10-25 /pmc/articles/PMC2959499/ /pubmed/21581063 http://dx.doi.org/10.1107/S160053680803451X Text en © Abid et al. 2008 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
Abid, Obaid-ur-Rahman
Qadeer, Ghulam
Rama, Nasim Hasan
Ruzicka, Ales
2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid
title 2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid
title_full 2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid
title_fullStr 2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid
title_full_unstemmed 2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid
title_short 2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid
title_sort 2-[(4-chloro­benz­yl)carbonyl­meth­yl]benzoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959499/
https://www.ncbi.nlm.nih.gov/pubmed/21581063
http://dx.doi.org/10.1107/S160053680803451X
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AT qadeerghulam 24chlorobenzylcarbonylmethylbenzoicacid
AT ramanasimhasan 24chlorobenzylcarbonylmethylbenzoicacid
AT ruzickaales 24chlorobenzylcarbonylmethylbenzoicacid

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