Information card for entry 2222661

Structure parameters

• Chemical name: (<i>S</i>)-2-(1-Hydroxyethyl)benzimidazolium dihydrogen phosphate
• Formula: C9 H13 N2 O5 P
• Calculated formula: C9 H13 N2 O5 P
• SMILES: P(=O)([O-])(O)O.[nH]1c2c([nH+]c1[C@@H](O)C)cccc2
• Title of publication: (<i>S</i>)-2-(1-Hydroxyethyl)benzimidazolium dihydrogen phosphate
• Authors of publication: Xia, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2032
• a: 4.5869 ± 0.0013 Å
• b: 15.749 ± 0.005 Å
• c: 15.876 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1146.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes