Information card for entry 2238672

Structure parameters

• Common name: 3-(1<i>H</i>-Imidazol-1-yl)propanaminium picrate
• Chemical name: 3-(1<i>H</i>-Imidazol-1-yl)propanaminium 2,4,6-trinitrophenolate
• Formula: C12 H14 N6 O7
• Calculated formula: C12 H14 N6 O7
• Title of publication: 3-(1<i>H</i>-Imidazol-1-yl)propanaminium picrate
• Authors of publication: Yamuna, T. S.; Jasinski, Jerry P.; Duff, Courtney E.; Yathirajan, H. S.; Kaur, Manpreet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1572 - o1573
• a: 11.98275 ± 0.00018 Å
• b: 38.5234 ± 0.0006 Å
• c: 16.4239 ± 0.0002 Å
• α: 90°
• β: 94.197 ± 0.0014°
• γ: 90°
• Cell volume: 7561.21 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.053
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No