Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

Abstract

The title compound, C18H14Cl2N2O2, crystallizes with two mol­ecules, A and B, in the asymmetric unit. In mol­ecule A, the dihedral angles between the central pyrazole ring and pendant di­chloro­benzene and p-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In mol­ecule B, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each mol­ecule features an intra­molecular O—H⋯O hydrogen bond, which closes an S(6) ring and mol­ecule A also features a C—H⋯O inter­action. In the crystal, weak C—H⋯π interactions and aromatic π–π stacking [shortest centroid–centroid separation = 3.707 (2) Å] generate a three-dimensional network.

Crystal structure of [1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](p-tolyl)methanone

“…The overall molecular geometry of the title compound, has a normal range and are in good agreement with the corresponding values obtained in case of related structures (Abdel-Aziz et al,2012;Sharma et al, 2014…”

Synthesis and Conjoint Experimental - DFT Characterization of some Pyrazolone Functionalized Dioxovanadium (V) Schiff Base Complexes

“…Their metal complexes have shown peculiar redox behavior [11]. The structural determinations of such complexes have gained much attention at both experimental as well as theoretical approaches [12,13].…”