Information card for entry 2204251

Structure parameters

• Chemical name: 2-amino-7-chloro-1,8-naphthyridine
• Formula: C8 H6 Cl N3
• Calculated formula: C8 H6 Cl N3
• SMILES: Clc1nc2nc(N)ccc2cc1
• Title of publication: 2-Amino-7-chloro-1,8-naphthyridine
• Authors of publication: Yudong, Shen; Haiqiang, Wu; Xianzhang, Bu; Lianquan, Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1641 - o1642
• a: 6.906 ± 0.007 Å
• b: 12.538 ± 0.013 Å
• c: 9.099 ± 0.009 Å
• α: 90°
• β: 91.012 ± 0.017°
• γ: 90°
• Cell volume: 787.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes