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Information card for entry 2003749
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-Cyclohexyl-3(2-tolyl)thiourea |
|---|---|
| Formula | C14 H20 N2 S |
| Calculated formula | C14 H20 N2 S |
| SMILES | S=C(NC1CCCCC1)Nc1ccccc1C |
| Title of publication | 1-Cyclohexyl-3-(2-tolyl)thiourea |
| Authors of publication | Akilan, R.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 1627 - 1629 |
| a | 8.153 ± 0.001 Å |
| b | 8.482 ± 0.001 Å |
| c | 20.638 ± 0.002 Å |
| α | 90° |
| β | 92.45 ± 0.01° |
| γ | 90° |
| Cell volume | 1425.9 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for all reflections | 0.1145 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Goodness-of-fit parameter for all reflections | 0.95 |
| Goodness-of-fit parameter for significantly intense reflections | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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