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Information card for entry 1556848
Preview
| Coordinates | 1556848.cif |
|---|---|
| Structure factors | 1556848.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
|---|---|
| Formula | C16 H20 N2 O2 S |
| Calculated formula | C16 H20 N2 O2 S |
| Title of publication | Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Authors of publication | R, Shashi; Begum, Noor Shahina |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 10 |
| Pages of publication | x171440 |
| a | 14.4124 ± 0.0007 Å |
| b | 14.9172 ± 0.0006 Å |
| c | 15.1412 ± 0.0006 Å |
| α | 90° |
| β | 100.377 ± 0.001° |
| γ | 90° |
| Cell volume | 3202 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.782 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246296 (current) | 2019-12-28 | cif/ hkl/ Adding structures of 1556848 via cif-deposit CGI script. |
1556848.cif 1556848.hkl |
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Users of the data should acknowledge the original authors of the
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