Information card for entry 2203714

Structure parameters

• Chemical name: Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate
• Formula: C7 H9 N3 O4
• Calculated formula: C7 H9 N3 O4
• Title of publication: Ethyl 3-methyl-5-nitro-1<i>H</i>-imidazole-2-carboxylate
• Authors of publication: Wu, Hai-Qiang; An, Lin-Kun; Huang, Zhi-Shu; Gu, Lian-Quan; Zain, Sharifuddin M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o994 - o995
• a: 8.94 ± 0.001 Å
• b: 6.768 ± 0.001 Å
• c: 15.028 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 909.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes