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Information card for entry 2011479
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| Coordinates | 2011479.cif |
|---|---|
| Structure factors | 2011479.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[N-methyl-N-hydroxyethyl)amino]benzaldehyde thiosemicarbazone |
|---|---|
| Formula | C11 H16 N4 O S |
| Calculated formula | C11 H16 N4 O S |
| SMILES | S=C(N)N\N=C\c1ccc(N(C)CCO)cc1 |
| Title of publication | 4-(<i>N</i>-Hydroxyethyl-<i>N</i>-methylamino)benzaldehyde thiosemicarbazone |
| Authors of publication | Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhang, Xuan-Jun; Tian, Yu-Peng; Xie, Fu-Xin; Ma, Ji-Long |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1238 - 1239 |
| a | 14.7856 ± 0.0003 Å |
| b | 7.7565 ± 0.0001 Å |
| c | 11.9571 ± 0.0002 Å |
| α | 90° |
| β | 112.517 ± 0.001° |
| γ | 90° |
| Cell volume | 1266.75 ± 0.04 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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