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Crystal structure of (4Z)-1-(3,4-di-chloro-phen-yl)-4-[hy-droxy(4-methyl-phen-yl)methyl-idene]-3-methyl-4,5-di-hydro-1H-pyrazol-5-one.

ABSTRACT: The title compound, C18H14Cl2N2O2, crystallizes with two mol-ecules, A and B, in the asymmetric unit. In mol-ecule A, the dihedral angles between the central pyrazole ring and pendant di-chloro-benzene and p-tolyl rings are 2.18?(16) and 46.78?(16)°, respectively. In mol-ecule B, the equivalent angles are 27.45?(16) and 40.45?(18)°, respectively. Each mol-ecule features an intra-molecular O-H?O hydrogen bond, which closes an S(6) ring and mol-ecule A also features a C-H?O inter-action. In the crystal, weak C-H?? interactions and aromatic ?-? stacking [shortest centroid-centroid separation = 3.707?(2)?Å] generate a three-dimensional network.

SUBMITTER: Sharma N 

PROVIDER: S-EPMC4257223 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of (4Z)-1-(3,4-di-chloro-phen-yl)-4-[hy-droxy(4-methyl-phen-yl)methyl-idene]-3-methyl-4,5-di-hydro-1H-pyrazol-5-one.

Sharma Naresh N   Parihar Sanjay S   Jadeja R N RN   Kant Rajni R   Gupta Vivek K VK  

Acta crystallographica. Section E, Structure reports online 20140930 Pt 10

The title compound, C18H14Cl2N2O2, crystallizes with two mol-ecules, A and B, in the asymmetric unit. In mol-ecule A, the dihedral angles between the central pyrazole ring and pendant di-chloro-benzene and p-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In mol-ecule B, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each mol-ecule features an intra-molecular O-H⋯O hydrogen bond, which closes an S(6) ring and mol-ecule A also features a C-H⋯O inter-action. In the cr  ...[more]

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