Information card for entry 2014280

Structure parameters

• Common name: 8-aminoquinolinium 5-sulfosalicylate dihydrate
• Chemical name: 8-aminoquinolinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate
• Formula: C16 H18 N2 O8 S
• Calculated formula: C16 H18 N2 O8 S
• Title of publication: Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases
• Authors of publication: Graham Smith; Urs D. Wermuth; Jonathan M. White
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o575 - o581
• a: 6.9047 ± 0.0009 Å
• b: 9.2914 ± 0.0012 Å
• c: 14.5106 ± 0.0019 Å
• α: 73.24 ± 0.002°
• β: 84.138 ± 0.003°
• γ: 79.889 ± 0.002°
• Cell volume: 876.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes