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Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate.

Authors :
Safarova, Ayten S.
Khalilov, Ali N.
Akkurt, Mehmet
Brito, Ivan
Bhattarai, Ajaya
Naghiyev, Farid N.
Mamedov, Ibrahim G.
Source :
Acta Crystallographica Section E: Crystallographic Communications. Dec2023, Vol. 79 Issue 12, p1142-1146. 9p.
Publication Year :
2023

Abstract

In the title compound, C15H14N2O2·H2O, the 1H-pyrrole ring makes a dihedral angle of 59.95 (13)° with the phenyl ring. In the crystal, the mol­ecules are connected by C—HO hydrogen bonds into layers parallel to the (020) plane, while two mol­ecules are connected to the water mol­ecule by two N—HO hydrogen bonds and one mol­ecule by an O—HO hydrogen bond. C—Hπ and π–π inter­actions further link the mol­ecules into chains extending in the [01] direction and stabilize the mol­ecular packing. According to a Hirshfeld surface study, HH (49.4%), CH/HC (23.2%) and OH/HO (20.0%) inter­actions are the most significant contributors to the crystal packing. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
79
Issue :
12
Database :
Academic Search Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
174041932
Full Text :
https://doi.org/10.1107/S2056989023009799