Information card for entry 2008799

Structure parameters

• Chemical name: 2-Aminobenzimidazolium Nitrate
• Formula: C7 H8 N4 O3
• Calculated formula: C7 H8 N4 O3
• SMILES: O=N(=O)[O-].[nH]1c([nH+]c2c1cccc2)N
• Title of publication: 2-Aminobenzimidazolium nitrate at 152K, a triclinic crystal structure with pronounced local pseudo-symmetry
• Authors of publication: Bats, Jan W.; Gördes, Dirk; Schmalz, Hans-Günther
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1325 - 1328
• a: 8.1754 ± 0.0009 Å
• b: 8.2776 ± 0.0009 Å
• c: 25.696 ± 0.004 Å
• α: 84.509 ± 0.011°
• β: 84.279 ± 0.012°
• γ: 89.941 ± 0.009°
• Cell volume: 1722.3 ± 0.4 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes