Information card for entry 2228389

Structure parameters

• Chemical name: Ethyl 8-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridine-7-carboxylate
• Formula: C16 H13 N3 O4
• Calculated formula: C16 H13 N3 O4
• SMILES: O=N(=O)c1ccc(c2c3n(ccn3)ccc2C(=O)OCC)cc1
• Title of publication: Ethyl 8-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridine-7-carboxylate
• Authors of publication: Duan, Gui-Yun; Zhang, Yu-Juan; Hao, Ben-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3272
• a: 8.189 ± 0.004 Å
• b: 15.821 ± 0.008 Å
• c: 11.884 ± 0.006 Å
• α: 90°
• β: 105.38 ± 0.008°
• γ: 90°
• Cell volume: 1484.5 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes