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(Z)-1-(2-Chloro-phen-yl)-3-methyl-4-[2-(4-nitro-phen-yl)hydrazin-1-yl-idene]-1H-pyrazol-5(4H)-one.

ABSTRACT: There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(16)H(12)ClN(5)O(3). The relative orientations of the chloro-phenyl ring with respect to the pyrazole ring in the two crystallographically independent mol-ecules are different, and their corresponding dihedral angles are -53.3?(2) and 114.09?(18)° in mol-ecules A and B, respectively. There are two strong intramolecular N-H?O hydrogen bonds, and two weak intramolecular C-H?O and C-H?Cl hydrogen bonds. The crystal packing is constructed by weak C-H?O and N-H?O inter-actions, and two ?-? stacking inter-actions [centroid-centroid distances = 3.7894?(9) and 3.5719?(10)?Å], forming a mol-ecular ladder along the a axis.

SUBMITTER: Bustos C 

PROVIDER: S-EPMC3414286 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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(Z)-1-(2-Chloro-phen-yl)-3-methyl-4-[2-(4-nitro-phen-yl)hydrazin-1-yl-idene]-1H-pyrazol-5(4H)-one.

Bustos Carlos C   Escobar-Fuentealba Andrés A   Alvarez-Thon Luis L   Faundez-Gutierrez Rodrigo R   Garland Maria Teresa MT  

Acta crystallographica. Section E, Structure reports online 20120707 Pt 8

There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(16)H(12)ClN(5)O(3). The relative orientations of the chloro-phenyl ring with respect to the pyrazole ring in the two crystallographically independent mol-ecules are different, and their corresponding dihedral angles are -53.3 (2) and 114.09 (18)° in mol-ecules A and B, respectively. There are two strong intramolecular N-H⋯O hydrogen bonds, and two weak intramolecular C-H⋯O and C-H⋯Cl hydrogen bonds. Th  ...[more]

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