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. 2012 Jan;68(Pt 1):o222.
doi: 10.1107/S1600536811054523. Epub 2011 Dec 23.

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

Fan-Wei Meng  1 , Guang-Feng Hou, Ying-Hui Yu, Jin-Sheng Gao
Affiliations

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

Fan-Wei Meng et al. Acta Crystallogr Sect E Struct Rep Online. 2012 Jan.

Abstract

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 mol-ecules into chains running along the a axis. π-π stacking is also observed between parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7527 (13) Å.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing displacement ellipsoids at the 50% probability level for non-H atoms.
Fig. 2.
Fig. 2.
A partial packing view, showing the hydrogen-bonding chain structure along [100].
See this image and copyright information in PMC

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