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Information card for entry 8106816
Preview
| Coordinates | 8106816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 N3 S |
|---|---|
| Calculated formula | C15 H9 N3 S |
| Title of publication | Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile) |
| Authors of publication | De-La-Torre, Pedro; Gutierrez, Margarita; Caballero, Julio; Trilleras, Jorge; Astudillo, Luis; Cardenas, Alejandro; Brito, Ivan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 171 - 173 |
| a | 9.5737 ± 0.0005 Å |
| b | 12.0958 ± 0.0004 Å |
| c | 12.2705 ± 0.0007 Å |
| α | 64.083 ± 0.005° |
| β | 80.907 ± 0.004° |
| γ | 82.8 ± 0.004° |
| Cell volume | 1259.44 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0379 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281248 (current) | 2023-03-02 | cif/ Adding structures of 8106816 via cif-deposit CGI script. |
8106816.cif |
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Users of the data should acknowledge the original authors of the
structural data.