Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate

In the title mol­ecule, C(13)H(14)N(2)O(2), the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C—O—C—C = −175.4 (3)°]. In the crystal, the only directional inter­actions are very weak C—H ⋯π inter­actions involvi...

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Detalles Bibliográficos
Autores principales: Wang, Ju-Xian, Feng, Chao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257449/
https://www.ncbi.nlm.nih.gov/pubmed/25553050
http://dx.doi.org/10.1107/S1600536814025100
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author Wang, Ju-Xian
Feng, Chao
author_facet Wang, Ju-Xian
Feng, Chao
author_sort Wang, Ju-Xian
collection PubMed
description In the title mol­ecule, C(13)H(14)N(2)O(2), the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C—O—C—C = −175.4 (3)°]. In the crystal, the only directional inter­actions are very weak C—H ⋯π inter­actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.
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spelling pubmed-42574492014-12-31 Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate Wang, Ju-Xian Feng, Chao Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(13)H(14)N(2)O(2), the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C—O—C—C = −175.4 (3)°]. In the crystal, the only directional inter­actions are very weak C—H ⋯π inter­actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network. International Union of Crystallography 2014-11-26 /pmc/articles/PMC4257449/ /pubmed/25553050 http://dx.doi.org/10.1107/S1600536814025100 Text en © Wang and Feng 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 Data Reports
Wang, Ju-Xian
Feng, Chao
Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate
title Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate
title_full Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate
title_fullStr Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate
title_full_unstemmed Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate
title_short Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth­yl]benzoate
title_sort crystal structure of ethyl 4-[(1h-pyrazol-1-yl)meth­yl]benzoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257449/
https://www.ncbi.nlm.nih.gov/pubmed/25553050
http://dx.doi.org/10.1107/S1600536814025100
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