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Information card for entry 8106798
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| Coordinates | 8106798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea |
|---|---|
| Chemical name | (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea |
| Formula | C16 H14 F N3 S2 |
| Calculated formula | C16 H14 F N3 S2 |
| Title of publication | Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea |
| Authors of publication | Wang, Xiao-Juan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 105 - 107 |
| a | 7.1583 ± 0.0009 Å |
| b | 28.524 ± 0.004 Å |
| c | 7.6021 ± 0.0008 Å |
| α | 90° |
| β | 94.443 ± 0.011° |
| γ | 90° |
| Cell volume | 1547.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281212 (current) | 2023-03-01 | cif/ Adding structures of 8106798 via cif-deposit CGI script. |
8106798.cif |
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Users of the data should acknowledge the original authors of the
structural data.