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Information card for entry 2203277
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| Coordinates | 2203277.cif |
|---|---|
| Structure factors | 2203277.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(3-chloro-4-methylphenyl)-N'-hydroxy-2-oxo-2-phenylacetamidine |
|---|---|
| Formula | C15 H13 Cl N2 O2 |
| Calculated formula | C15 H13 Cl N2 O2 |
| SMILES | Clc1cc(NC(=N\O)/C(=O)c2ccccc2)ccc1C |
| Title of publication | <i>N</i>-(3-Chloro-4-methylphenyl)-<i>N</i>'-hydroxy-2-oxo-2-phenylacetamidine |
| Authors of publication | Hökelek, Tuncer; Büyükgüngör, Orhan; Taş, Murat; Batı, Hümeyra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | o406 - o408 |
| a | 25.6412 ± 0.0014 Å |
| b | 4.9773 ± 0.0003 Å |
| c | 22.3894 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2857.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.098 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.753 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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