Information card for entry 2215955

Structure parameters

• Chemical name: Methyl 1-methyl-8-nitro-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
• Formula: C10 H11 N3 O5
• Calculated formula: C10 H11 N3 O5
• SMILES: O=N(=O)c1c2N(C)CCn2c(=O)cc1C(=O)OC
• Title of publication: Methyl 1-methyl-8-nitro-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-<i>a</i>]pyridine-7-carboxylate
• Authors of publication: Wang, Li; Li, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4427 - o4427
• a: 9.848 ± 0.005 Å
• b: 10.738 ± 0.005 Å
• c: 11.318 ± 0.006 Å
• α: 90°
• β: 108.165 ± 0.008°
• γ: 90°
• Cell volume: 1137.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes