Information card for entry 2241602

Structure parameters

• Chemical name: 2-Methyl-1<i>H</i>-imidazol-3-ium nitrate
• Formula: C4 H7 N3 O3
• Calculated formula: C4 H7 N3 O3
• Title of publication: Crystal structures of the two salts 2-methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1) and 2-methyl-1<i>H</i>-imidazol-3-ium nitrate
• Authors of publication: Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 482 - 485
• a: 14.1402 ± 0.0011 Å
• b: 6.2297 ± 0.0005 Å
• c: 7.4571 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 656.89 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0515
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes