Information card for entry 2216508

Structure parameters

• Chemical name: 8-(4-Methoxybenzoyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridin-5(1H)-one
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: C1CN2C(=O)CCC(=C2N1)C(=O)c1ccc(cc1)OC
• Title of publication: 8-(4-Methoxybenzoyl)-2,3,6,7-tetrahydroimidazo[1,2-<i>a</i>]pyridin-5(1<i>H</i>)-one
• Authors of publication: Xiong, Yunkui; Li, Hui; Wang, Liben
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4935 - o4935
• a: 7.1455 ± 0.0003 Å
• b: 9.4356 ± 0.0003 Å
• c: 10.5282 ± 0.0003 Å
• α: 80.565 ± 0.001°
• β: 79.468 ± 0.001°
• γ: 69.568 ± 0.001°
• Cell volume: 650.1 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes