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(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)(2,6-difluoro-phen-yl)methanone.

ABSTRACT: There are two mol-ecules in the asymmetric unit of the title compound, C(12)H(9)BrF(2)N(2)O. They have very similar conformations: the dihedral angles between their pyrazole and benzene ring systems are 78.4?(3) and 78.6?(4)°. In the crystal, weak aromatic ?-? stacking [centroid-centroid separation = 3.696?(5)?Å] helps to establish the packing.

SUBMITTER: Mei XD

PROVIDER: S-EPMC2980109 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)(2,6-difluoro-phen-yl)methanone.

Mei Xiang-Dong XD Liang Yan-Hui YH Wang Zhong-Yue ZY

Acta crystallographica. Section E, Structure reports online 20091212 Pt 1

There are two mol-ecules in the asymmetric unit of the title compound, C(12)H(9)BrF(2)N(2)O. They have very similar conformations: the dihedral angles between their pyrazole and benzene ring systems are 78.4 (3) and 78.6 (4)°. In the crystal, weak aromatic π-π stacking [centroid-centroid separation = 3.696 (5) Å] helps to establish the packing. ...[more]

PMID: 21580004

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