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Crystal structure of (4Z)-4-[(2E)-3-(4-chloro-phen-yl)-1-hy-droxy-prop-2-en-1-yl-idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: In the the asymmetric unit of the title compound, C19H15ClN2O2, there are two symmetry-independent mol-ecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00?(12) and 23.42?(10)°]. A strong intra-molecular O-H?O hydrogen bond with the S (6) motif is observed in both mol-ecules. Pairs of ?-? stacking inter-actions between the phenyl groups [centroid-centroid distances = 3.6627?(13) and 3.7156?(14)?Å] assemble the mol-ecules into two types of centrosymmetric dimers. Weak C-H?O inter-actions connect mol-ecules into chains along the b axis.

SUBMITTER: Shahid M 

PROVIDER: S-EPMC4459345 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of (4Z)-4-[(2E)-3-(4-chloro-phen-yl)-1-hy-droxy-prop-2-en-1-yl-idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one.

Shahid Muhammad M   Munawar Munawar Ali MA   Tahir Muhammad Nawaz MN   Salim Muhammad M   Malik Khizar Iqbal KI  

Acta crystallographica. Section E, Crystallographic communications 20150513 Pt 6

In the the asymmetric unit of the title compound, C19H15ClN2O2, there are two symmetry-independent mol-ecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong intra-molecular O-H⋯O hydrogen bond with the S (6) motif is observed in both mol-ecules. Pairs of π-π stacking inter-actions between the phenyl groups [centroid-centroid distances = 3.6627 (13) and 3.7156 (14) Å  ...[more]

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