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Information card for entry 2214307
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| Coordinates | 2214307.cif |
|---|---|
| Structure factors | 2214307.hkl |
| Original IUCr paper | HTML |
| Chemical name | N,N'-(4,5-Dichloro-o-phenylene)dibenzamide |
|---|---|
| Formula | C20 H14 Cl2 N2 O2 |
| Calculated formula | C20 H14 Cl2 N2 O2 |
| SMILES | Clc1cc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)cc1Cl |
| Title of publication | <i>N</i>,<i>N</i>'-(4,5-Dichloro-<i>o</i>-phenylene)dibenzamide |
| Authors of publication | Kwak, Han; Kim, Sea-Hyun; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3141 - o3141 |
| a | 8.3024 ± 0.0008 Å |
| b | 11.8571 ± 0.0011 Å |
| c | 18.7334 ± 0.0018 Å |
| α | 90° |
| β | 102.63 ± 0.002° |
| γ | 90° |
| Cell volume | 1799.5 ± 0.3 Å3 |
| Cell temperature | 288 ± 2 K |
| Ambient diffraction temperature | 288 ± 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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