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Information card for entry 2240752
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| Coordinates | 2240752.cif |
|---|---|
| Structure factors | 2240752.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Amino-2,6-dichlorophenol |
|---|---|
| Formula | C6 H5 Cl2 N O |
| Calculated formula | C6 H5 Cl2 N O |
| SMILES | Clc1c(O)c(Cl)cc(N)c1 |
| Title of publication | Crystal structure of 4-amino-2,6-dichlorophenol |
| Authors of publication | McDonald, Kyle J.; Desikan, Vasumathi; Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o406 |
| a | 4.6064 ± 0.0005 Å |
| b | 11.7569 ± 0.0012 Å |
| c | 13.2291 ± 0.0013 Å |
| α | 90° |
| β | 96.76 ± 0.005° |
| γ | 90° |
| Cell volume | 711.47 ± 0.13 Å3 |
| Cell temperature | 120.15 K |
| Ambient diffraction temperature | 120.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0469 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240752.cif 2240752.hkl |
| 137013 | 2015-05-20 | cif/ hkl/ Adding structures of 2240752 via cif-deposit CGI script. |
2240752.cif 2240752.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.