Information card for entry 2016354

Structure parameters

• Common name: 5-aminonaphthalene-1-sulfonic acid monohydrate
• Chemical name: 5-Ammonionaphthalene-1-sulfonate monohydrate
• Formula: C10 H11 N O4 S
• Calculated formula: C10 H11 N O4 S
• SMILES: S(=O)(=O)([O-])c1cccc2c([NH3+])cccc12.O
• Title of publication: 5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts
• Authors of publication: Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m604 - m609
• a: 8.1157 ± 0.0016 Å
• b: 7.8434 ± 0.0016 Å
• c: 16.723 ± 0.003 Å
• α: 90°
• β: 96.9 ± 0.03°
• γ: 90°
• Cell volume: 1056.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes