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Information card for entry 7240886
Preview
| Coordinates | 7240886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cis-o,o'-azodioxytoluene |
|---|---|
| Chemical name | Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide |
| Formula | C14 H14 N2 O2 |
| Calculated formula | C14 H14 N2 O2 |
| SMILES | O=N(=N(=O)c1c(cccc1)C)c1c(cccc1)C |
| Title of publication | ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds |
| Authors of publication | Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 15.176 ± 0.0013 Å |
| b | 10.4211 ± 0.0006 Å |
| c | 15.5264 ± 0.0012 Å |
| α | 90° |
| β | 90 ± 0.007° |
| γ | 90° |
| Cell volume | 2455.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.126 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.826 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254370 (current) | 2020-07-17 | cif/ Adding structures of 7240883, 7240884, 7240885, 7240886, 7240887, 7240888 via cif-deposit CGI script. |
7240886.cif |
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Users of the data should acknowledge the original authors of the
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