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Information card for entry 2214408
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| Coordinates | 2214408.cif |
|---|---|
| Structure factors | 2214408.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Methyl-N'-(2-thienylcarboxyl)butyrohydrazide |
|---|---|
| Formula | C10 H16 N2 O3 S |
| Calculated formula | C10 H16 N2 O3 S |
| SMILES | s1c(ccc1)C(=O)NNC(=O)CC(C)C.O |
| Title of publication | 3-Methyl-<i>N</i>'-(2-thienylcarboxyl)butyrohydrazide |
| Authors of publication | Guo-Xiang Liu; Wen-Shi Wu; Hai-Ping Li; Guo-Dong Yang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3225 - o3225 |
| a | 6.5648 ± 0.0005 Å |
| b | 7.3451 ± 0.0007 Å |
| c | 25.956 ± 0.002 Å |
| α | 90° |
| β | 96.387 ± 0.004° |
| γ | 90° |
| Cell volume | 1243.81 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.