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Information card for entry 8106423
Preview
| Coordinates | 8106423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 Cl N2 S |
|---|---|
| Calculated formula | C17 H21 Cl N2 S |
| SMILES | Clc1cc(NC(=S)NC23CC4CC(C2)CC(C3)C4)ccc1 |
| Title of publication | Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S |
| Authors of publication | Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 33 - 35 |
| a | 25.4796 ± 0.0011 Å |
| b | 6.7503 ± 0.0003 Å |
| c | 18.9971 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3267.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280152 (current) | 2023-01-06 | cif/ Adding structures of 8106423 via cif-deposit CGI script. |
8106423.cif |
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Users of the data should acknowledge the original authors of the
structural data.