Information card for entry 2009210

Structure parameters

• Chemical name: 4-Benzoimidazol-2-yl-pyridinium N-oxide dihydrogenphosphate monohydrate
• Formula: C12 H14 N3 O6 P
• Calculated formula: C12 H14 N3 O6 P
• SMILES: P(=O)(O)([O-])O.O.O=[n]1ccc(cc1)C1=[NH+]c2ccccc2N1
• Title of publication: 4-(1<i>H</i>,3<i>H</i>^+^-1,3-Benzimidazol-2-ylio)pyridine <i>N</i>-oxide dihydrogenphosphate monohydrate
• Authors of publication: Zhang, Bing-guang; Liu, Yong-Jiang; Gou, Shao-hua; Duan, Chun-Ying; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1929 - 1930
• a: 7.503 ± 0.008 Å
• b: 9.702 ± 0.005 Å
• c: 10.501 ± 0.003 Å
• α: 93.93 ± 0.04°
• β: 103.99 ± 0.03°
• γ: 107.26 ± 0.07°
• Cell volume: 700.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No