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Information card for entry 2242433
Preview
| Coordinates | 2242433.cif |
|---|---|
| Structure factors | 2242433.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-[2-(1,3-Thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate |
|---|---|
| Formula | C8 H10 N6 O S |
| Calculated formula | C8 H10 N6 O S |
| SMILES | s1ccnc1/N=N/c1c(nc(N)cc1)N.O |
| Title of publication | Crystal structure of 3-[2-(1,3-thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate |
| Authors of publication | Chotima, Ratanon; Boonseng, Bussaba; Piyasaengthong, Akkharadet; Songsasen, Apisit; Chainok, Kittipong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| Pages of publication | 563 - 565 |
| a | 3.7856 ± 0.0004 Å |
| b | 28.393 ± 0.003 Å |
| c | 9.6324 ± 0.0009 Å |
| α | 90° |
| β | 93.824 ± 0.003° |
| γ | 90° |
| Cell volume | 1033.03 ± 0.18 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207156 (current) | 2018-03-28 | cif/ hkl/ Adding structures of 2242433 via cif-deposit CGI script. |
2242433.cif 2242433.hkl |
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Users of the data should acknowledge the original authors of the
structural data.