Information card for entry 2214834

Structure parameters

• Chemical name: 2-Methyl-4-nitro-1-(3-pyridyl)-1H-imidazole
• Formula: C9 H8 N4 O2
• Calculated formula: C9 H8 N4 O2
• SMILES: n1(c2cnccc2)c(C)nc(N(=O)=O)c1
• Title of publication: 2-Methyl-4-nitro-1-(3-pyridyl)-1<i>H</i>-imidazole
• Authors of publication: Kubicki, Maciej; Wagner, Paweł
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3454 - o3454
• a: 8.1315 ± 0.0012 Å
• b: 7.3189 ± 0.001 Å
• c: 15.104 ± 0.003 Å
• α: 90°
• β: 98.178 ± 0.014°
• γ: 90°
• Cell volume: 889.8 ± 0.3 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0493
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes