Information card for entry 2217025

Structure parameters

• Chemical name: 7-Acetylamino-2,4-dimethyl-1,8-naphthyridine
• Formula: C12 H13 N3 O
• Calculated formula: C12 H13 N3 O
• SMILES: n1c2nc(cc(c2ccc1NC(=O)C)C)C
• Title of publication: 7-Acetylamino-2,4-dimethyl-1,8-naphthyridine
• Authors of publication: Wang, De-Hui; Yu, Yao-Ming; Chen, Jian-Hua; Fu, Wen-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o112 - o112
• a: 7.97 ± 0.008 Å
• b: 7.309 ± 0.007 Å
• c: 19.071 ± 0.018 Å
• α: 90°
• β: 91.883 ± 0.014°
• γ: 90°
• Cell volume: 1110.3 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes