4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile

The asymmetric unit of the title compound, C(13)H(12)N(2)O(2), obtained in a search for analogs of the fungicide fludioxonil [systematic name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile], contains two independent mol­ecules, A and B. The benzene and pyrrole rings are inclined to...

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Autores principales: Chen, Qing-Hao, Meng, Fan-Wei, Dong, Gui-Jun, Wang, Xiao-Dan, Gao, Jin-Sheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344663/
https://www.ncbi.nlm.nih.gov/pubmed/22590425
http://dx.doi.org/10.1107/S1600536812018302
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author Chen, Qing-Hao
Meng, Fan-Wei
Dong, Gui-Jun
Wang, Xiao-Dan
Gao, Jin-Sheng
author_facet Chen, Qing-Hao
Meng, Fan-Wei
Dong, Gui-Jun
Wang, Xiao-Dan
Gao, Jin-Sheng
author_sort Chen, Qing-Hao
collection PubMed
description The asymmetric unit of the title compound, C(13)H(12)N(2)O(2), obtained in a search for analogs of the fungicide fludioxonil [systematic name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile], contains two independent mol­ecules, A and B. The benzene and pyrrole rings are inclined to each other at 38.5 (1) and 29.3 (1)° in mol­ecules A and B, respectively. In the crystal, bifurcated N—H⋯(O,O) hydrogen bonds link A mol­ecules into chains along [001], while B mol­ecules are linked into layers parallel to the bc plane via bifurcated N—H⋯(N,N) hydrogen bonds.
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spelling pubmed-33446632012-05-15 4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile Chen, Qing-Hao Meng, Fan-Wei Dong, Gui-Jun Wang, Xiao-Dan Gao, Jin-Sheng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(13)H(12)N(2)O(2), obtained in a search for analogs of the fungicide fludioxonil [systematic name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile], contains two independent mol­ecules, A and B. The benzene and pyrrole rings are inclined to each other at 38.5 (1) and 29.3 (1)° in mol­ecules A and B, respectively. In the crystal, bifurcated N—H⋯(O,O) hydrogen bonds link A mol­ecules into chains along [001], while B mol­ecules are linked into layers parallel to the bc plane via bifurcated N—H⋯(N,N) hydrogen bonds. International Union of Crystallography 2012-04-28 /pmc/articles/PMC3344663/ /pubmed/22590425 http://dx.doi.org/10.1107/S1600536812018302 Text en © Chen et al. 2012 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
Chen, Qing-Hao
Meng, Fan-Wei
Dong, Gui-Jun
Wang, Xiao-Dan
Gao, Jin-Sheng
4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile
title 4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile
title_full 4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile
title_fullStr 4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile
title_full_unstemmed 4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile
title_short 4-(2,3-Dimeth­oxy­phen­yl)-1H-pyrrole-3-carbonitrile
title_sort 4-(2,3-dimeth­oxy­phen­yl)-1h-pyrrole-3-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344663/
https://www.ncbi.nlm.nih.gov/pubmed/22590425
http://dx.doi.org/10.1107/S1600536812018302
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