El Kalai Fouad, Baydere Cemile, Dege Necmi, Abudunia Abdulmalik, Benchat Noureddine, Karrouchi Khalid
Laboratory of Applied Chemistry and Environment (LCAE), Faculty of Sciences, Mohammed I University, 60000 Oujda, Morocco.
Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139-Samsun, Turkey.
Acta Crystallogr E Crystallogr Commun. 2022 Feb 15;78(Pt 3):322-325. doi: 10.1107/S2056989022001517. eCollection 2022 Feb 1.
The title compound, CHNO, is built up from a central imidazo[1,2-]pyridine ring system connected to a nitroso group, a phenyl ring and a 2-oxo-2-phenyl-ethyl acetate group. The imidazo[1,2-] 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-phenyl-ethyl acetate group. In the crystal, the mol-ecules are linked into chains parallel to the axis by C-H⋯O hydrogen bonds, generating (5) and (28) graph-set motifs. The chains are further linked into a three-dimensional network by C-H⋯π and π-stacking inter-actions. The inter-molecular inter-actions 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%) inter-actions.
标题化合物CHNO由一个连接有亚硝基、苯环和2-氧代-2-苯基乙酸乙酯基团的中心咪唑并[1,2 - ]吡啶环系构成。咪唑并[1,2 - ]吡啶环系几乎是平面的(均方根偏差 = 0.017 Å),分别与苯环和2-氧代-2-苯基乙酸乙酯基团形成22.74 (5)°和45.37 (5)°的二面角。在晶体中,分子通过C—H⋯O氢键连接成平行于 轴的链,产生 (5)和 (28)的图形集 motif。这些链通过C—H⋯π和π - 堆积相互作用进一步连接成三维网络。使用Hirshfeld表面分析和二维指纹图谱研究了分子间相互作用,结果表明晶体堆积中最重要的贡献来自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%)和C⋯C(4.3%)相互作用。