Crystal Structure and Hirshfeld Surface Analysis of 1-(4-Chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-Pyrazole

抄録

The aim of the study is to explore the crystal structure and performe Hirshfeld surface analysis of 1-(4-chlorophenyl)-5-{4-[(2-methylphenyl)methoxy]phenyl}-1H-pyrazole. In the title compound, C₂₃H₁₉ClN₂O, the 4-chlorophenyl, 2-methylphenyl and benzene rings are oriented with dihedral angles of 71.22(10), 31.82(9) and 59.76(9)°, respectively, with respect to the pyrazole ring. Pairs of molecules are linked by intermolecular C–H···O hydrogen contacts with R²₂(8) ring motifs forming sheets lying parallel to (100). Furthermore C–H···π interactions also contribute to stabilizing the molecular packing. A Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions which indicate that the most important contributions for the crystal packing are from H···H (42.5%) and H···C/C···H (35%) and H···Cl/Cl···H (12%) interactions.