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4-(2,3-Dimeth-oxy-phen-yl)-1H-pyrrole-3-carbonitrile.

ABSTRACT: 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 mol-ecules, A and B. The benzene and pyrrole rings are inclined to each other at 38.5?(1) and 29.3?(1)° in mol-ecules A and B, respectively. In the crystal, bifurcated N-H?(O,O) hydrogen bonds link A mol-ecules into chains along [001], while B mol-ecules are linked into layers parallel to the bc plane via bifurcated N-H?(N,N) hydrogen bonds.

SUBMITTER: Chen QH

PROVIDER: S-EPMC3344663 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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4-(2,3-Dimeth-oxy-phen-yl)-1H-pyrrole-3-carbonitrile.

Chen Qing-Hao QH Meng Fan-Wei FW Dong Gui-Jun GJ Wang Xiao-Dan XD Gao Jin-Sheng JS

Acta crystallographica. Section E, Structure reports online 20120428 Pt 5

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 mol-ecules, A and B. The benzene and pyrrole rings are inclined to each other at 38.5 (1) and 29.3 (1)° in mol-ecules A and B, respectively. In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds link A mol-ecules into chains along [001], while B mol-ecules are linked ...[more]

PMID: 22590425

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