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CIF Information Card
Information card for 2200006
2200005 << 2200006 >> 2200007Preview
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Coordinates |
2200006.cif |
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Structure factors |
2200006.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (Z)-3-(2,6-Dichlorophenyl)-1-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop- 2-en-1-one |
| Formula | - C16 H10 Cl2 N4 O - |
| Calculated formula | - C16 H10 Cl2 N4 O - |
| Title of publication | (<i>Z</i>)-3-(2,6-Dichlorophenyl)-1-(pyridin-3-yl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop- 2-en-1-one |
| Authors of publication | Liu, Jian-Bing; Dai, Hong; Tao, Wei-Feng; Jin, Zhong; Fang, Jian-Xin |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3599 - o3601 |
| a | 8.0749 ± 0.0014 Å |
| b | 19.795 ± 0.003 Å |
| c | 10.1321 ± 0.0017 Å |
| α | 90° |
| β | 98.28 ± 0.002° |
| γ | 90° |
| Cell volume | 1602.7 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0407 |
| Residual factor for observed reflections | 0.0314 |
| Weighted residual factors for the observed reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for observed reflections | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |