4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
In the title compound, C12H6F2N2O2, 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 i...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254555/ |
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pubmed-3254555 |
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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 Organic Papers In the title compound, C12H6F2N2O2, 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Meng, Fan-Wei Hou, Guang-Feng Yu, Ying-Hui Gao, Jin-Sheng |
| spellingShingle |
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 |
| author_facet |
Meng, Fan-Wei Hou, Guang-Feng Yu, Ying-Hui Gao, Jin-Sheng |
| author_sort |
Meng, Fan-Wei |
| title |
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_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_sort |
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1h-pyrrole-3-carbonitrile |
| description |
In the title compound, C12H6F2N2O2, 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. |
| publisher |
International Union of Crystallography |
| publishDate |
2011 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254555/ |
| _version_ |
1611498986967924736 |