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Information card for entry 1548729
Preview
| Coordinates | 1548729.cif |
|---|---|
| Structure factors | 1548729.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate |
|---|---|
| Formula | C71 H71 N33 O S8 |
| Calculated formula | C71 H71 N33 O S8 |
| Title of publication | 2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate |
| Authors of publication | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x180087 |
| a | 18.3427 ± 0.0014 Å |
| b | 13.5855 ± 0.001 Å |
| c | 16.9385 ± 0.0012 Å |
| α | 90° |
| β | 110.393 ± 0.009° |
| γ | 90° |
| Cell volume | 3956.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.124 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205436 (current) | 2018-01-20 | cif/ hkl/ Adding structures of 1548729 via cif-deposit CGI script. |
1548729.cif 1548729.hkl |
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Users of the data should acknowledge the original authors of the
structural data.