Information card for entry 8106647

Structure parameters

• Common name: 1-methyl-4-nitroimidzole
• Chemical name: 1-methyl-4-nitroimidzole
• Formula: C4 H5 N3 O2
• Calculated formula: C4 H5 N3 O2
• Title of publication: Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2
• Authors of publication: Jianlong, Wang; Pengbao, Lian; Lizhen, Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 699 - 700
• a: 3.8976 ± 0.0006 Å
• b: 5.7235 ± 0.0008 Å
• c: 6.267 ± 0.001 Å
• α: 89.63 ± 0.012°
• β: 84.8 ± 0.013°
• γ: 76.97 ± 0.013°
• Cell volume: 135.63 ± 0.04 ų
• Cell temperature: 104.8 K
• Ambient diffraction temperature: 104.8 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No