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Information card for entry 2202125
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| Coordinates | 2202125.cif |
|---|---|
| Structure factors | 2202125.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Carbazoyl-5-methylpyridazin-6(1H)-one |
|---|---|
| Formula | C6 H8 N4 O2 |
| Calculated formula | C6 H8 N4 O2 |
| SMILES | c1(=O)c(cc(C(=O)NN)n[nH]1)C |
| Title of publication | 3-Carbazoyl-5-methylpyridazin-6(1<i>H</i>)-one |
| Authors of publication | Cheng, Xin-Guo; Li, Yi-Zhi; Fu, Xing-Guo; Cao, Lei; Hu, Zhi-De |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 5 |
| Pages of publication | o601 - o602 |
| a | 7.359 ± 0.001 Å |
| b | 10.261 ± 0.001 Å |
| c | 10.005 ± 0.001 Å |
| α | 90° |
| β | 101.3 ± 0.01° |
| γ | 90° |
| Cell volume | 740.84 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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