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(Z)-Ethyl 3-[bis-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl-carbon-yl)amino]-3-(4-chloro-phen-yl)-2-cyano-propanoate.

ABSTRACT: The title compound, C(26)H(25)Cl(3)N(6)O(4), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro-phen-yl)-2-cyano-acrylate and 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride. The dihedral angles between the chloro-benzene and the two pyrazole rings are 59.8 (2) and 33.3 (2)°. The two pyrazole rings are oriented to each other at a dihedral angle of 84.7 (2)°. The crystal packing is governed by inter-molecular C-H⋯O inter-actions, resulting in a three-dimensional network. The ethyl groups are disordered over two positions, with site-occupancy factors of 0.71/0.29 and 0.51/0.49.

SUBMITTER: Zhang D 

PROVIDER: S-EPMC2968925 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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(Z)-Ethyl 3-[bis-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl-carbon-yl)amino]-3-(4-chloro-phen-yl)-2-cyano-propanoate.

Zhang Dehua D   Zhang Xiaoyan X   Guo Lijuan L  

Acta crystallographica. Section E, Structure reports online 20090328 Pt 4

The title compound, C(26)H(25)Cl(3)N(6)O(4), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro-phen-yl)-2-cyano-acrylate and 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride. The dihedral angles between the chloro-benzene and the two pyrazole rings are 59.8 (2) and 33.3 (2)°. The two pyrazole rings are oriented to each other at a dihedral angle of 84.7 (2)°. The crystal packing is governed by inter-molecular C-H⋯O inter-actions, resulting in a three-dimensional network. The  ...[more]

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