Crystal structure and Hirshfeld surface analysis of N-{2-(E)-(4-methyl­benzyl­idene)amino­phen­yl}-2-(5-methyl-1-H-pyrazol-3-yl)acetamide hemihydrate

摘要

The asymmetric unit of the title compound, C20H20N4O·0.5H2O, contains two independent organic mol­ecules (1 and 2) and a water mol­ecule of crystallization. The two mol­ecules differ primarily in the dihedral angles between the aromatic rings, which are 7.79 (7) and 29.89 (7)° in mol­ecules 1 and 2, respectively. In each mol­ecule there is intra­molecular C—H⋯O hydrogen bond forming an S(6) ring motif. In mol­ecule 1 there is an intra­molecular N—H⋯π(pyrazole) inter­action and an intra­molecular C—H⋯π(pyrazole) inter­action present. Mol­ecule 1 is linked to mol­ecule 2 by a C—H⋯π(benzene ring) inter­action. An intra­molecular N—H⋯N hydrogen bond and an intra­molecular C—H⋯N hydrogen bond are also present in mol­ecule 2. In the crystal, the three components are linked by Owater—H⋯N, N—H⋯Owater and N—H⋯N hydrogen bonds, forming chains along the [100] direction. The chains are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the ab plane. Finally, the layers are linked by C—H⋯π inter­actions, forming a three-dimensional structure.