Information card for entry 2209507

Structure parameters

• Common name: ethyl 8-benzoyl-7-phenyl-1,2,3,5,6,7-hexahydro- 5-oxoimidazo[1,2-a]pyridine-6-carboxylate
• Chemical name: Ethyl 8-benzoyl-5-oxo-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine- 6-carboxylate
• Formula: C23 H22 N2 O4
• Calculated formula: C23 H22 N2 O4
• SMILES: O=C1N2C(=C([C@@H]([C@H]1C(=O)OCC)c1ccccc1)C(=O)c1ccccc1)NCC2.O=C1N2C(=C([C@H]([C@@H]1C(=O)OCC)c1ccccc1)C(=O)c1ccccc1)NCC2
• Title of publication: Ethyl 8-benzoyl-5-oxo-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine-6-carboxylate
• Authors of publication: Chu-Yi Yu; Sheng-Jiao Yan; Zhi-Tang Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2731 - o2733
• a: 9.644 ± 0.003 Å
• b: 11.937 ± 0.003 Å
• c: 17.998 ± 0.005 Å
• α: 90°
• β: 90.691 ± 0.005°
• γ: 90°
• Cell volume: 2071.8 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0795
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes