In the title compound, C(15)H(14)N(2)O(2)·H(2)O, 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¯Ï and Ï-Ï 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.
Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate.
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作者:Safarova Ayten S, Khalilov Ali N, Akkurt Mehmet, Brito Ivan, Bhattarai Ajaya, Naghiyev Farid N, Mamedov Ibrahim G
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2023 | 起止号: | 2023 Nov 14; 79(Pt 12):1142-1146 |
| doi: | 10.1107/S2056989023009799 | ||
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