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Information card for entry 1543683
Preview
| Coordinates | 1543683.cif |
|---|---|
| Structure factors | 1543683.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide |
|---|---|
| Formula | C10 H7 Cl3 N4 O S2 |
| Calculated formula | C10 H7 Cl3 N4 O S2 |
| SMILES | Clc1cc(NC(=O)CSc2sc(nn2)N)c(Cl)cc1Cl |
| Title of publication | 2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-<i>N</i>-(2,4,5-trichlorophenyl)acetamide |
| Authors of publication | Madan Kumar, S.; Madhu Kumar, D. J.; Shivakumar, H. P.; Jagadeesha Prasad, D.; Byrappa, K.; Abdoh, M. M. M. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | x161123 |
| a | 12.4679 ± 0.0012 Å |
| b | 11.9467 ± 0.0011 Å |
| c | 9.5278 ± 0.0008 Å |
| α | 90° |
| β | 95.701 ± 0.007° |
| γ | 90° |
| Cell volume | 1412.1 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0757 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184534 (current) | 2016-07-20 | cif/ hkl/ Adding structures of 1543683 via cif-deposit CGI script. |
1543683.cif 1543683.hkl |
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Users of the data should acknowledge the original authors of the
structural data.