Information card for entry 2244039

Structure parameters

• Chemical name: 2-Oxo-2-phenylethyl 3-nitroso-2-phenylimidazo[1,2-<i>a</i>]pyridine-8-carboxylate
• Formula: C22 H15 N3 O4
• Calculated formula: C22 H15 N3 O4
• SMILES: O(C(=O)c1c2nc(c(n2ccc1)N=O)c1ccccc1)CC(=O)c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-oxo-2-phenylethyl 3-nitroso-2-phenylimidazo[1,2-<i>a</i>]pyridine-8-carboxylate
• Authors of publication: El Kalai, Fouad; Baydere, Cemile; Dege, Necmi; Abudunia, Abdulmalik; Benchat, Noureddine; Karrouchi, Khalid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 15.9256 ± 0.0014 Å
• b: 14.8256 ± 0.0014 Å
• c: 7.6787 ± 0.0006 Å
• α: 90°
• β: 90.566 ± 0.007°
• γ: 90°
• Cell volume: 1812.9 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes