4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

In the title compound, C(12)H(6)F(2)N(2)O(2), the 2,2-difluoro-1,3-benzodioxole ring system is approximately planar [maximum deviation = 0.012 (2) Å] and its mean plane is twisted with respect to the pyrrole ring, making a dihedral angle of 2.51 (9)°. In the crystal, N—H⋯N hydrogen bonds link the mo...

Descripción completa

Detalles Bibliográficos
Autores principales: Meng, Fan-Wei, Hou, Guang-Feng, Yu, Ying-Hui, Gao, Jin-Sheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254555/
https://www.ncbi.nlm.nih.gov/pubmed/22259504
http://dx.doi.org/10.1107/S1600536811054523
_version_ 1782220880677437440
author Meng, Fan-Wei
Hou, Guang-Feng
Yu, Ying-Hui
Gao, Jin-Sheng
author_facet Meng, Fan-Wei
Hou, Guang-Feng
Yu, Ying-Hui
Gao, Jin-Sheng
author_sort Meng, Fan-Wei
collection PubMed
description In the title compound, C(12)H(6)F(2)N(2)O(2), the 2,2-difluoro-1,3-benzodioxole ring system is approximately planar [maximum deviation = 0.012 (2) Å] and its mean plane is twisted with respect to the pyrrole ring, making a dihedral angle of 2.51 (9)°. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into chains running along the a axis. π–π stacking is also observed between parallel benzene rings of adjacent mol­ecules, the centroid–centroid distance being 3.7527 (13) Å.
format Online
Article
Text
id pubmed-3254555
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32545552012-01-18 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile Meng, Fan-Wei Hou, Guang-Feng Yu, Ying-Hui Gao, Jin-Sheng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(6)F(2)N(2)O(2), the 2,2-difluoro-1,3-benzodioxole ring system is approximately planar [maximum deviation = 0.012 (2) Å] and its mean plane is twisted with respect to the pyrrole ring, making a dihedral angle of 2.51 (9)°. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into chains running along the a axis. π–π stacking is also observed between parallel benzene rings of adjacent mol­ecules, the centroid–centroid distance being 3.7527 (13) Å. International Union of Crystallography 2011-12-23 /pmc/articles/PMC3254555/ /pubmed/22259504 http://dx.doi.org/10.1107/S1600536811054523 Text en © Meng 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
Meng, Fan-Wei
Hou, Guang-Feng
Yu, Ying-Hui
Gao, Jin-Sheng
4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
title 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
title_full 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
title_fullStr 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
title_full_unstemmed 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
title_short 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
title_sort 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1h-pyrrole-3-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254555/
https://www.ncbi.nlm.nih.gov/pubmed/22259504
http://dx.doi.org/10.1107/S1600536811054523
work_keys_str_mv AT mengfanwei 422difluoro13benzodioxol4yl1hpyrrole3carbonitrile
AT houguangfeng 422difluoro13benzodioxol4yl1hpyrrole3carbonitrile
AT yuyinghui 422difluoro13benzodioxol4yl1hpyrrole3carbonitrile
AT gaojinsheng 422difluoro13benzodioxol4yl1hpyrrole3carbonitrile

Ejemplares similares