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Information card for entry 2214400
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| Coordinates | 2214400.cif |
|---|---|
| Structure factors | 2214400.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Acetyl-3-(4-bromophenyl)-5-(2-furyl)-2-pyrazoline |
|---|---|
| Formula | C15 H13 Br N2 O2 |
| Calculated formula | C15 H13 Br N2 O2 |
| SMILES | c1cc(ccc1C1CC(c2ccco2)N(C(=O)C)N=1)Br |
| Title of publication | 1-Acetyl-3-(4-bromophenyl)-5-(2-furyl)-2-pyrazoline |
| Authors of publication | Huan-Mei Guo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3165 - o3165 |
| a | 8.1417 ± 0.0017 Å |
| b | 26.757 ± 0.006 Å |
| c | 7.0974 ± 0.0015 Å |
| α | 90° |
| β | 115.587 ± 0.002° |
| γ | 90° |
| Cell volume | 1394.5 ± 0.5 Å3 |
| 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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