Information card for entry 2202793

Structure parameters

• Chemical name: 2-methyl-4,5-dinitroimidazole
• Formula: C4 H4 N4 O4
• Calculated formula: C4 H4 N4 O4
• Title of publication: 2-Methyl-4,5-dinitroimidazole
• Authors of publication: Gilardi, Richard; Evans, Robin N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1349 - o1350
• a: 7.9962 ± 0.0009 Å
• b: 8.286 ± 0.0009 Å
• c: 11.8913 ± 0.0013 Å
• α: 70.702 ± 0.002°
• β: 71.205 ± 0.002°
• γ: 72.983 ± 0.002°
• Cell volume: 688.5 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes