Crystal structure of 7,8-benzocoumarin-4-acetic acid

The fused-ring system in the title compound [systematic name: 2-(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid], C(15)H(10)O(4), is almost planar (r.m.s. deviation = 0.031 Å) and the C(ar)—C—C=O (ar = aromatic) torsion angle for the side chain is −134.4 (3)°. In the crystal, mol­ecules are linked by O—H...

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Autores principales: Swamy, R. Ranga, Gowda, Ramakrishna, Gowda, K. V. Arjuna, Basanagouda, Mahantesha
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/PMC4571427/
https://www.ncbi.nlm.nih.gov/pubmed/26396827
http://dx.doi.org/10.1107/S2056989015014103
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author Swamy, R. Ranga
Gowda, Ramakrishna
Gowda, K. V. Arjuna
Basanagouda, Mahantesha
author_facet Swamy, R. Ranga
Gowda, Ramakrishna
Gowda, K. V. Arjuna
Basanagouda, Mahantesha
author_sort Swamy, R. Ranga
collection PubMed
description The fused-ring system in the title compound [systematic name: 2-(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid], C(15)H(10)O(4), is almost planar (r.m.s. deviation = 0.031 Å) and the C(ar)—C—C=O (ar = aromatic) torsion angle for the side chain is −134.4 (3)°. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, generating [100] C(8) chains, where the acceptor atom is the exocyclic O atom of the fused-ring system. The packing is consolidated by a very weak C—H⋯O hydrogen bond to the same acceptor atom. Together, these inter­actions lead to undulating (001) layers in the crystal.
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spelling pubmed-45714272015-09-22 Crystal structure of 7,8-benzocoumarin-4-acetic acid Swamy, R. Ranga Gowda, Ramakrishna Gowda, K. V. Arjuna Basanagouda, Mahantesha Acta Crystallogr E Crystallogr Commun Data Reports The fused-ring system in the title compound [systematic name: 2-(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid], C(15)H(10)O(4), is almost planar (r.m.s. deviation = 0.031 Å) and the C(ar)—C—C=O (ar = aromatic) torsion angle for the side chain is −134.4 (3)°. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, generating [100] C(8) chains, where the acceptor atom is the exocyclic O atom of the fused-ring system. The packing is consolidated by a very weak C—H⋯O hydrogen bond to the same acceptor atom. Together, these inter­actions lead to undulating (001) layers in the crystal. International Union of Crystallography 2015-07-31 /pmc/articles/PMC4571427/ /pubmed/26396827 http://dx.doi.org/10.1107/S2056989015014103 Text en © Swamy 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
Swamy, R. Ranga
Gowda, Ramakrishna
Gowda, K. V. Arjuna
Basanagouda, Mahantesha
Crystal structure of 7,8-benzocoumarin-4-acetic acid
title Crystal structure of 7,8-benzocoumarin-4-acetic acid
title_full Crystal structure of 7,8-benzocoumarin-4-acetic acid
title_fullStr Crystal structure of 7,8-benzocoumarin-4-acetic acid
title_full_unstemmed Crystal structure of 7,8-benzocoumarin-4-acetic acid
title_short Crystal structure of 7,8-benzocoumarin-4-acetic acid
title_sort crystal structure of 7,8-benzocoumarin-4-acetic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571427/
https://www.ncbi.nlm.nih.gov/pubmed/26396827
http://dx.doi.org/10.1107/S2056989015014103
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AT basanagoudamahantesha crystalstructureof78benzocoumarin4aceticacid

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