Crystal structure and Hirshfeld surface analysis of (2 Z )-3-oxo- N -phenyl-2-[(1 H -pyrrol-2-yl)methylidene]butanamide monohydrate.
Ayten S SafarovaAli N KhalilovMehmet AkkurtIvan BritoAjaya BhattaraiFarid N NaghiyevIbrahim G MamedovPublished in: Acta crystallographica. Section E, Crystallographic communications (2023)
In the title compound, C 15 H 14 N 2 O 2 ·H 2 O, the 1 H -pyrrole ring makes a dihedral angle of 59.95 (13)° with the phenyl ring. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds into layers parallel to the (020) plane, while two mol-ecules are connected to the water mol-ecule by two N-H⋯O hydrogen bonds and one mol-ecule by an O-H⋯O hydrogen bond. C-H⋯π and π-π inter-actions further link the mol-ecules into chains extending in the [01] direction and stabilize the mol-ecular packing. According to a Hirshfeld surface study, H⋯H (49.4%), C⋯H/H⋯C (23.2%) and O⋯H/H⋯O (20.0%) inter-actions are the most significant contributors to the crystal packing.