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5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-1H-pyrazole-3-carboxylic acid.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(11)Cl(3)N(2)O(2), contains two independent mol-ecules; the pyrazole rings are oriented with respect to the chloro-phenyl and dichloro-phenyl rings at dihedral angles of 43.00?(3) and 65.06?(4)°, respectively, in one mol-ecule, and 51.17?(3) and 69.99?(3)°, respectively, in the other. Pairs of inter-molecular O-H?O hydrogen bonds link the mol-ecules into dimers. In the crystal structure, there are ?-? contacts between the pyrazole rings and dichloro-phenyl rings [centroid-centroid distances = 3.859?(3) and 3.835?(3)?Å].

SUBMITTER: Wang W 

PROVIDER: S-EPMC2960141 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-1H-pyrazole-3-carboxylic acid.

Wang Wei W   Fang Zheng Z  

Acta crystallographica. Section E, Structure reports online 20081122 Pt 12

The asymmetric unit of the title compound, C(17)H(11)Cl(3)N(2)O(2), contains two independent mol-ecules; the pyrazole rings are oriented with respect to the chloro-phenyl and dichloro-phenyl rings at dihedral angles of 43.00 (3) and 65.06 (4)°, respectively, in one mol-ecule, and 51.17 (3) and 69.99 (3)°, respectively, in the other. Pairs of inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into dimers. In the crystal structure, there are π-π contacts between the pyrazole rings and dichlo  ...[more]

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