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Information card for entry 2204251
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| Coordinates | 2204251.cif |
|---|---|
| Structure factors | 2204251.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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