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Information card for entry 2003509
Preview
| Coordinates | 2003509.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Methyl N-(N'-4-chlorophenylaminothiocarbonyl) imidate |
|---|---|
| Formula | C15 H13 Cl N2 O S |
| Calculated formula | C15 H13 Cl N2 O S |
| SMILES | Clc1ccc(NC(=S)/N=C(/OC)c2ccccc2)cc1 |
| Title of publication | Methyl <i>N</i>-(4-Chlorophenylaminothiocarbonyl)benzimidate |
| Authors of publication | Hajjem, B.; Jouini, T.; Harizi, A.; Baccar, B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 5 |
| Pages of publication | 920 - 922 |
| a | 7.3812 ± 0.0011 Å |
| b | 8.4422 ± 0.0009 Å |
| c | 12.42 ± 0.0014 Å |
| α | 73.243 ± 0.009° |
| β | 81.924 ± 0.011° |
| γ | 83.473 ± 0.011° |
| Cell volume | 731.53 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Goodness-of-fit parameter for all reflections | 1.302 |
| Goodness-of-fit parameter for significantly intense reflections | 1.348 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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