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Information card for entry 2239861
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| Coordinates | 2239861.cif |
|---|---|
| Structure factors | 2239861.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,6-Dichloro-<i>N</i>-(2-chlorophenyl)-1,3,5-triazin-2-amine |
|---|---|
| Formula | C9 H5 Cl3 N4 |
| Calculated formula | C9 H5 Cl3 N4 |
| SMILES | Clc1nc(Cl)nc(n1)Nc1c(Cl)cccc1 |
| Title of publication | Crystal structure of anilazine |
| Authors of publication | Jeon, Youngeun; Kim, Jineun; Kang, Gihang; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o923 |
| a | 7.2491 ± 0.0009 Å |
| b | 7.991 ± 0.0009 Å |
| c | 10.5039 ± 0.0013 Å |
| α | 111.954 ± 0.006° |
| β | 106.411 ± 0.006° |
| γ | 90.111 ± 0.006° |
| Cell volume | 537.38 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239861.cif 2239861.hkl |
| 181317 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/98. |
2239861.cif 2239861.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239861.cif 2239861.hkl |
| 121843 | 2014-08-10 | cif/ hkl/ Adding structures of 2239861 via cif-deposit CGI script. |
2239861.cif 2239861.hkl |
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Users of the data should acknowledge the original authors of the
structural data.