Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate.
Acta Crystallogr E Crystallogr Commun
; 79(Pt 12): 1142-1146, 2023 Dec 01.
Article
em En
| MEDLINE
| ID: mdl-38313126
ABSTRACT
In the title compound, C15H14N2O2·H2O, the 1H-pyrrole ring makes a dihedral angle of 59.95â
(13)° with the phenyl ring. In the crystal, the mol-ecules are connected by C-Hâ¯O hydrogen bonds into layers parallel to the (020) plane, while two mol-ecules are connected to the water mol-ecule by two N-Hâ¯O hydrogen bonds and one mol-ecule by an O-Hâ¯O hydrogen bond. C-Hâ¯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, Hâ¯H (49.4%), Câ¯H/Hâ¯C (23.2%) and Oâ¯H/Hâ¯O (20.0%) inter-actions are the most significant contributors to the crystal packing.
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En
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2023
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Article