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Information card for entry 8106421
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| Coordinates | 8106421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea |
|---|---|
| Formula | C14 H11 N3 S2 |
| Calculated formula | C14 H11 N3 S2 |
| Title of publication | Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2 |
| Authors of publication | Jambi, Suhair M. S.; Al-Obaid, Abdul-Rahman M.; Hosten, Eric C.; Betz, Richard; Bari, Ahmed |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 29 - 30 |
| a | 5.7607 ± 0.0005 Å |
| b | 9.8397 ± 0.0009 Å |
| c | 12.092 ± 0.0011 Å |
| α | 72.899 ± 0.004° |
| β | 81.833 ± 0.004° |
| γ | 86.796 ± 0.005° |
| Cell volume | 648.4 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280150 (current) | 2023-01-06 | cif/ Adding structures of 8106421 via cif-deposit CGI script. |
8106421.cif |
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Users of the data should acknowledge the original authors of the
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