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Information card for entry 2200729
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| Coordinates | 2200729.cif |
|---|---|
| Structure factors | 2200729.hkl |
| Original IUCr paper | HTML |
| Chemical name | N,N-dimethyl-N-{4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine |
|---|---|
| Formula | C15 H16 N4 O2 |
| Calculated formula | C15 H16 N4 O2 |
| SMILES | N(=N/c1ccc(N(C)C)cc1)\c1cc(N(=O)=O)c(cc1)C |
| Title of publication | Redetermination of <i>N,N</i>-dimethyl-<i>N</i>-{4-[(<i>E</i>)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine at 193 K: another example of dynamic disorder of substituted azobenzene compounds |
| Authors of publication | Oleg Ya. Borbulevych; Mikhail Yu. Antipin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1250 - o1251 |
| a | 10.509 ± 0.006 Å |
| b | 10.763 ± 0.005 Å |
| c | 13.146 ± 0.007 Å |
| α | 90° |
| β | 107.26 ± 0.04° |
| γ | 90° |
| Cell volume | 1420 ± 1.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1329 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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