Information card for entry 2241603

Structure parameters

• Chemical name: 2-Methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1)
• Formula: C8 H13 N5 O3
• Calculated formula: C8 H13 N5 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: 10.1879 ± 0.0004 Å
• b: 10.0912 ± 0.0004 Å
• c: 11.9055 ± 0.0005 Å
• α: 90°
• β: 115.188 ± 0.002°
• γ: 90°
• Cell volume: 1107.6 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes