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2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazol-5-yl}acetamide.

ABSTRACT: The title compound, C(13)H(6)Cl(3)F(3)N(4)O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazole-3-carbonitrile and 2-chloro-acetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5?(3)° with the benzene ring. The -CF(3) group is disordered by rotation, and the F atoms are split over two sets of sites with occupancies of 0.59?(2) and 0.41?(2). The crystal structure features weak C-H?O and N-H?N inter-actions involving the carbonyl and cyano groups as acceptors.

SUBMITTER: Zhang JQ 

PROVIDER: S-EPMC3254452 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazol-5-yl}acetamide.

Zhang Jian-Qiang JQ   He Qiu Q   Jiang Qiang-Hua QH   Mu Hai-Pin HP   Wan Rong R  

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

The title compound, C(13)H(6)Cl(3)F(3)N(4)O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazole-3-carbonitrile and 2-chloro-acetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5 (3)° with the benzene ring. The -CF(3) group is disordered by rotation, and the F atoms are split over two sets of sites with occupancies of 0.59 (2) and 0.41 (2). The crystal structure features weak C-H⋯O and N-H⋯N inter-actions involving the ca  ...[more]

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