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Information card for entry 2012761
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| Coordinates | 2012761.cif |
|---|---|
| Structure factors | 2012761.hkl |
| Original IUCr paper | HTML |
| Common name | N-(2-methoxyphenyl)-4-nitrophenylimine |
|---|---|
| Chemical name | N-(2-methoxyphenyl)-4-nitrophenylimine |
| Formula | C14 H12 N2 O3 |
| Calculated formula | C14 H12 N2 O3 |
| SMILES | O(c1ccccc1/N=C/c1ccc(N(=O)=O)cc1)C |
| Title of publication | The effect of molecular planarity on crystal non-centrosymmetry in benzylidene–aniline derivatives |
| Authors of publication | Zhang, De-Chun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 6 |
| Pages of publication | o351 - o352 |
| a | 7.2703 ± 0.0006 Å |
| b | 7.2963 ± 0.0008 Å |
| c | 24.086 ± 0.003 Å |
| α | 90° |
| β | 94.517 ± 0.008° |
| γ | 90° |
| Cell volume | 1273.7 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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