Information card for entry 2209201

Structure parameters

• Chemical name: 7-Chloro-2,4-dimethyl-1,8-napthyridin-1-ium nitrate
• Formula: C10 H10 Cl N3 O3
• Calculated formula: C10 H10 Cl N3 O3
• SMILES: Clc1nc2[nH+]c(cc(c2cc1)C)C.N(=O)(=O)[O-]
• Title of publication: 7-Chloro-2,4-dimethyl-1,8-naphthyridin-1-ium nitrate
• Authors of publication: Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2181 - o2182
• a: 9.477 ± 0.005 Å
• b: 7.592 ± 0.004 Å
• c: 16.017 ± 0.009 Å
• α: 90°
• β: 98.462 ± 0.008°
• γ: 90°
• Cell volume: 1139.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes