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

Chen QH, Meng FW, Dong GJ, Wang XD, Gao JS - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.

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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.

No MeSH data available.


Related in: MedlinePlus

Two independent molecules in the asymmetric unit of (I) showing the atomic numbering and 50% probability displacement ellipsoids.
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Fap1: Two independent molecules in the asymmetric unit of (I) showing the atomic numbering and 50% probability displacement ellipsoids.


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

Chen QH, Meng FW, Dong GJ, Wang XD, Gao JS - Acta Crystallogr Sect E Struct Rep Online (2012)

Two independent molecules in the asymmetric unit of (I) showing the atomic numbering and 50% probability displacement ellipsoids.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344663&req=5

Fap1: Two independent molecules in the asymmetric unit of (I) showing the atomic numbering and 50% probability displacement ellipsoids.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.


Related in: MedlinePlus