Information card for entry 2212871

Structure parameters

• Chemical name: 7-Amino-2,4-dimethylquinolinium formate
• Formula: C12 H14 N2 O2
• Calculated formula: C12 H14 N2 O2
• SMILES: O=C[O-].[nH+]1c(cc(c2c1cc(N)cc2)C)C
• Title of publication: 7-Amino-2,4-dimethylquinolinium formate
• Authors of publication: Su, Qing; Ye, Ling; Yang, Guang-Di; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1699 - o1700
• a: 7.2254 ± 0.0019 Å
• b: 9.167 ± 0.003 Å
• c: 9.3662 ± 0.0019 Å
• α: 66.7 ± 0.03°
• β: 89.88 ± 0.03°
• γ: 76.131 ± 0.019°
• Cell volume: 550.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes