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...
| Main Authors: | , , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254555/ |
| Summary: | 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. |
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