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Information card for entry 2008085
Preview
| Coordinates | 2008085.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,2-bis(4-tert-butyl-pyridine-2-carboxamido)-4,5-dichlorobenzene |
|---|---|
| Formula | C26 H28 Cl2 N4 O2 |
| Calculated formula | C26 H28 Cl2 N4 O2 |
| SMILES | Clc1cc(NC(=O)c2nccc(C(C)(C)C)c2)c(NC(=O)c2nccc(c2)C(C)(C)C)cc1Cl |
| Title of publication | <i>N</i>,<i>N</i>'-(4,5-Dichloro-<i>o</i>-phenylene)bis(4-<i>tert</i>-butylpyridine-2-carboxamide) |
| Authors of publication | Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhen Shen; Jing-Lin Zuo; Xiao-Zeng You |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 99 - 100 |
| a | 9.3876 ± 0.0001 Å |
| b | 12.4039 ± 0.0002 Å |
| c | 12.755 ± 0.0003 Å |
| α | 104.807 ± 0.001° |
| β | 99.431 ± 0.001° |
| γ | 110.927 ± 0.001° |
| Cell volume | 1286.54 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.129 |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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