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Information card for entry 2204498
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| Coordinates | 2204498.cif |
|---|---|
| Structure factors | 2204498.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-[(2,4,6-Trichloroanilino)carbonyl]prop-2-enoic acid |
|---|---|
| Formula | C10 H6 Cl3 N O3 |
| Calculated formula | C10 H6 Cl3 N O3 |
| SMILES | Clc1c(NC(=O)/C=C\C(=O)O)c(Cl)cc(Cl)c1 |
| Title of publication | 3-[(2,4,6-Trichloroanilino)carbonyl]prop-2-enoic acid |
| Authors of publication | Parvez, Masood; Shahzadi, Saira; Shahid, Khadija; Ali, Saqib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o2082 - o2084 |
| a | 7.062 ± 0.001 Å |
| b | 12.665 ± 0.002 Å |
| c | 13.875 ± 0.003 Å |
| α | 98.372 ± 0.007° |
| β | 102.792 ± 0.008° |
| γ | 92.732 ± 0.009° |
| Cell volume | 1193.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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