Crystal structure and Hirshfeld surface analysis of 2-oxo-2-phenylethyl 3-nitroso-2-phenylimidazo[1,2-a]pyridine-8-carboxylate

Acta Crystallographica Section E: Crystallographic Communications

Abdulmalik Abudunia¹  Necmi Dege²  Cemile Baydere²  Khalid Karrouchi³  Fouad El Kalai⁴  Noureddine Benchat⁴ 

[1] Department of Pharmacology, Faculty of Clinical Pharmacy, University of Medical and Applied Sciences, Yemen;Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139-Samsun, Turkey;Laboratory of Analytical Chemistry and Bromatology, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco;Laboratory of Applied Chemistry and Environment (LCAE), Faculty of Sciences, Mohammed I University, 60000 Oujda, Morocco;

关键词: crystal structure;    hydrogen bonding;    hirshfeld surface analysis;    imidazo[1,2-a]pyridine;   

DOI  :  10.1107/S2056989022001517

来源: DOAJ

【 摘 要 】

The title compound, C22H15N3O4, is built up from a central imidazo[1,2-a]pyridine ring system connected to a nitroso group, a phenyl ring and a 2-oxo-2-phenylethyl acetate group. The imidazo[1,2-a] pyridine ring system is almost planar (r.m.s. deviation = 0.017 Å) and forms dihedral angles of 22.74 (5) and 45.37 (5)°, respectively, with the phenyl ring and the 2-oxo-2-phenylethyl acetate group. In the crystal, the molecules are linked into chains parallel to the b axis by C—H...O hydrogen bonds, generating R21 (5) and R44 (28) graph-set motifs. The chains are further linked into a three-dimensional network by C—H...π and π-stacking interactions. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most important contributions for the crystal packing are from H...H (36.2%), H...C/C...H (20.5%), H...O/O...H (20.0%), C...O/O...C (6.5%), C...N/N...C (6.2%), H...N/N...H (4.5%) and C...C (4.3%) interactions.

【 授权许可】

Unknown