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Information card for entry 1545016
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| Coordinates | 1545016.cif |
|---|---|
| Structure factors | 1545016.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide |
|---|---|
| Formula | C14 H18 Cl N3 O S |
| Calculated formula | C14 H18 Cl N3 O S |
| SMILES | Clc1cc(c(O)cc1)/C=N/NC(=S)NC1CCCCC1 |
| Title of publication | (<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide |
| Authors of publication | Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x161997 |
| a | 5.9923 ± 0.0001 Å |
| b | 11.0704 ± 0.0002 Å |
| c | 12.1128 ± 0.0003 Å |
| α | 107.981 ± 0.0009° |
| β | 91.3414 ± 0.0009° |
| γ | 97.2061 ± 0.0009° |
| Cell volume | 756.6 ± 0.03 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190046 (current) | 2017-01-08 | cif/ hkl/ Adding structures of 1545016 via cif-deposit CGI script. |
1545016.cif 1545016.hkl |
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Users of the data should acknowledge the original authors of the
structural data.