1-Carb­oxy­naphthalen-2-yl acetate monohydrate

In the title compound, C(13)H(10)O(4)·H(2)O, both the carboxylic acid [C(ar)—C(ar)—C—O = −121.1 (2)°, where ar = aromatic] and the ester [C(ar)—C(ar)—O—C = −104.4 (3)°] groups lie out of the mean plane of the conjugated aromatic system. In the crystal, the organic mol­ecule is hydrogen bonded to wat...

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Detalles Bibliográficos
Autores principales: Souza, Bruno S., Bortoluzzi, Adailton J., Nome, Faruk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998276/
https://www.ncbi.nlm.nih.gov/pubmed/24764837
http://dx.doi.org/10.1107/S1600536813034338
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author Souza, Bruno S.
Bortoluzzi, Adailton J.
Nome, Faruk
author_facet Souza, Bruno S.
Bortoluzzi, Adailton J.
Nome, Faruk
author_sort Souza, Bruno S.
collection PubMed
description In the title compound, C(13)H(10)O(4)·H(2)O, both the carboxylic acid [C(ar)—C(ar)—C—O = −121.1 (2)°, where ar = aromatic] and the ester [C(ar)—C(ar)—O—C = −104.4 (3)°] groups lie out of the mean plane of the conjugated aromatic system. In the crystal, the organic mol­ecule is hydrogen bonded to water mol­ecules through the ester and carb­oxy moieties, forming chains along the a-axis direction. The methyl H atoms of the acet­oxy group are disordered over two equally occupied sites.
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spelling pubmed-39982762014-04-24 1-Carb­oxy­naphthalen-2-yl acetate monohydrate Souza, Bruno S. Bortoluzzi, Adailton J. Nome, Faruk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(10)O(4)·H(2)O, both the carboxylic acid [C(ar)—C(ar)—C—O = −121.1 (2)°, where ar = aromatic] and the ester [C(ar)—C(ar)—O—C = −104.4 (3)°] groups lie out of the mean plane of the conjugated aromatic system. In the crystal, the organic mol­ecule is hydrogen bonded to water mol­ecules through the ester and carb­oxy moieties, forming chains along the a-axis direction. The methyl H atoms of the acet­oxy group are disordered over two equally occupied sites. International Union of Crystallography 2014-01-04 /pmc/articles/PMC3998276/ /pubmed/24764837 http://dx.doi.org/10.1107/S1600536813034338 Text en © Souza et al. 2014 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
Souza, Bruno S.
Bortoluzzi, Adailton J.
Nome, Faruk
1-Carb­oxy­naphthalen-2-yl acetate monohydrate
title 1-Carb­oxy­naphthalen-2-yl acetate monohydrate
title_full 1-Carb­oxy­naphthalen-2-yl acetate monohydrate
title_fullStr 1-Carb­oxy­naphthalen-2-yl acetate monohydrate
title_full_unstemmed 1-Carb­oxy­naphthalen-2-yl acetate monohydrate
title_short 1-Carb­oxy­naphthalen-2-yl acetate monohydrate
title_sort 1-carb­oxy­naphthalen-2-yl acetate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998276/
https://www.ncbi.nlm.nih.gov/pubmed/24764837
http://dx.doi.org/10.1107/S1600536813034338
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