Information card for entry 2222143

Structure parameters

• Chemical name: 2-(2-Pyrrolidinio)-1<i>H</i>-benzimidazol-3-ium dinitrate
• Formula: C11 H15 N5 O6
• Calculated formula: C11 H15 N5 O6
• SMILES: [nH]1c2c([nH+]c1C1[NH2+]CCC1)cccc2.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: 2-(2-Pyrrolidinio)-1<i>H</i>-benzimidazol-3-ium dinitrate
• Authors of publication: Dai, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1360
• a: 22.078 ± 0.002 Å
• b: 11.154 ± 0.001 Å
• c: 14.67 ± 0.001 Å
• α: 90°
• β: 127.18 ± 0.01°
• γ: 90°
• Cell volume: 2878.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0939
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes