Information card for entry 2229415

Structure parameters

• Chemical name: Morpholinium 4-amino-5-methoxy-2-methylbenzensulfonate
• Formula: C12 H20 N2 O5 S
• Calculated formula: C12 H20 N2 O5 S
• SMILES: c1(cc(c(cc1N)C)S(=O)(=O)[O-])OC.C1COCC[NH2+]1
• Title of publication: Morpholinium 4-amino-5-methoxy-2-methylbenzensulfonate
• Authors of publication: Shou, Ling-Gao; Li, Mei-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o631
• a: 9.2141 ± 0.0005 Å
• b: 14.8227 ± 0.0009 Å
• c: 10.474 ± 0.0007 Å
• α: 90°
• β: 91.12 ± 0.002°
• γ: 90°
• Cell volume: 1430.24 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes