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Information card for entry 2203313
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| Coordinates | 2203313.cif |
|---|---|
| Structure factors | 2203313.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Phenylbenzaldehydeoxime |
|---|---|
| Formula | C13 H11 N O |
| Calculated formula | C13 H11 N O |
| SMILES | c1(c(cccc1)c1ccccc1)/C=N/O |
| Title of publication | (<i>E</i>)-2-Phenylbenzaldehyde oxime forms hydrogen-bonded <i>C</i>~2~^2^(6) chains |
| Authors of publication | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | o422 - o424 |
| a | 14.3555 ± 0.0004 Å |
| b | 4.4969 ± 0.0001 Å |
| c | 31.4473 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2030.09 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0711 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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