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Information card for entry 1542882
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| Coordinates | 1542882.cif |
|---|---|
| Structure factors | 1542882.hkl |
| Original IUCr paper | HTML |
| Common name | 2,4,6-trimethylbenzene-1,3-diamine |
|---|---|
| Chemical name | 2,4,6-Trimethylbenzene-1,3-diamine |
| Formula | C9 H14 N2 |
| Calculated formula | C9 H14 N2 |
| SMILES | Nc1c(c(N)c(cc1C)C)C |
| Title of publication | Diaminomesitylene |
| Authors of publication | Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160351 |
| a | 8.1735 ± 0.0007 Å |
| b | 12.9313 ± 0.0009 Å |
| c | 8.73 ± 0.0008 Å |
| α | 90° |
| β | 105.803 ± 0.009° |
| γ | 90° |
| Cell volume | 887.83 ± 0.13 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections | 0.162 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542882.cif 1542882.hkl |
| 178209 | 2016-03-15 | cif/ hkl/ Adding structures of 1542882 via cif-deposit CGI script. |
1542882.cif 1542882.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.