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Information card for entry 2012272
Preview
| Coordinates | 2012272.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Iodo-2-methyl-5-nitroaniline |
|---|---|
| Formula | C7 H7 I N2 O2 |
| Calculated formula | C7 H7 I N2 O2 |
| Title of publication | 4-Iodo-2-methyl-5-nitroaniline exhibits neither strong hydrogen bonding nor intermolecular I···nitro interactions |
| Authors of publication | Garden, Simon J.; Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Pinto, Angelo C.; Skakle, Janet M. S.; Torres, Jose C.; Wardell, James L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | 1212 - 1214 |
| a | 13.5264 ± 0.0007 Å |
| b | 4.2773 ± 0.0002 Å |
| c | 16.3725 ± 0.0008 Å |
| α | 90° |
| β | 109.835 ± 0.001° |
| γ | 90° |
| Cell volume | 891.06 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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