Information card for entry 2217237

Structure parameters

• Chemical name: 4-Amino-2-methylquinolinium hydrogensulfate dihydrate
• Formula: C10 H16 N2 O6 S
• Calculated formula: C10 H16 N2 O6 S
• SMILES: c1cccc2c(cc(C)[nH+]c12)N.OS(=O)(=O)[O-].O.O
• Title of publication: 4-Amino-2-methylquinolinium hydrogensulfate dihydrate
• Authors of publication: Amini, Mostafa M.; Mohammadnezhad Sh.,Gholamhossein; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o203 - o203
• a: 10.1585 ± 0.0009 Å
• b: 11.2131 ± 0.0009 Å
• c: 13.3545 ± 0.0011 Å
• α: 68.283 ± 0.006°
• β: 76.355 ± 0.007°
• γ: 67.949 ± 0.006°
• Cell volume: 1301.5 ± 0.2 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes