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Information card for entry 1549520
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| Coordinates | 1549520.cif |
|---|---|
| Structure factors | 1549520.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine |
|---|---|
| Formula | C19 H19 N3 O3 |
| Calculated formula | C19 H19 N3 O3 |
| SMILES | c1(nc(cc(n1)c1cc(cc(c1)OC)OC)c1c(cccc1)OC)N |
| Title of publication | 4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine |
| Authors of publication | Koh, Dongsoo; Lee, Ji Hye |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | x180796 |
| a | 7.5867 ± 0.0007 Å |
| b | 10.268 ± 0.0007 Å |
| c | 11.4684 ± 0.0008 Å |
| α | 95.592 ± 0.004° |
| β | 102.147 ± 0.004° |
| γ | 109.987 ± 0.003° |
| Cell volume | 806.72 ± 0.11 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208144 (current) | 2018-06-05 | cif/ hkl/ Adding structures of 1549520 via cif-deposit CGI script. |
1549520.cif 1549520.hkl |
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Users of the data should acknowledge the original authors of the
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