Crystal Structure and Hirshfeld Surface Analysis of (2)-3-oxo--phenyl-2-[(1-pyrrol-2-yl)methylidene]butanamide Monohydrate
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Abstract
In the title compound, CHNO·HO, the 1-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.
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