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Information card for entry 2241482
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| Coordinates | 2241482.cif |
|---|---|
| Structure factors | 2241482.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,6-Dichloro-5-methylpyrimidine |
|---|---|
| Formula | C5 H4 Cl2 N2 |
| Calculated formula | C5 H4 Cl2 N2 |
| SMILES | Clc1ncnc(Cl)c1C |
| Title of publication | Crystal structure of 4,6-dichloro-5-methylpyrimidine |
| Authors of publication | Medjani, Meriem; Hamdouni, Noudjoud; Brihi, Ouarda; Boudjada, Ali; Meinnel, Jean |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1073 - o1074 |
| a | 7.463 ± 0.005 Å |
| b | 7.827 ± 0.005 Å |
| c | 11.79 ± 0.005 Å |
| α | 90° |
| β | 93.233 ± 0.005° |
| γ | 90° |
| Cell volume | 687.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.098 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241482.cif 2241482.hkl |
| 174731 | 2016-01-22 | cif/ hkl/ Adding structures of 2241482 via cif-deposit CGI script. |
2241482.cif 2241482.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.