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Information card for entry 2020091
Preview
| Coordinates | 2020091.cif |
|---|---|
| Structure factors | 2020091.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4-Diamino-6-methyl-1,3,5-triazine‒2,6-dichlorophenol (1/1) |
|---|---|
| Formula | C10 H11 Cl2 N5 O |
| Calculated formula | C10 H11 Cl2 N5 O |
| Title of publication | Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers |
| Authors of publication | Gerhardt, Valeska; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| a | 5.0318 ± 0.0007 Å |
| b | 8.5779 ± 0.0011 Å |
| c | 15.008 ± 0.002 Å |
| α | 93.929 ± 0.011° |
| β | 96.214 ± 0.011° |
| γ | 100.121 ± 0.011° |
| Cell volume | 631.41 ± 0.15 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020091.cif 2020091.hkl |
| 153656 | 2015-08-26 | cif/ hkl/ Adding structures of 2020089, 2020090, 2020091, 2020092, 2020093 via cif-deposit CGI script. |
2020091.cif 2020091.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.