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CIF Information Card
Information card for 2015376
2015375 << 2015376 >> 2015377Preview
|
Coordinates |
2015376.cif |
|
Structure factors |
2015376.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-Formylbenzonitrile |
| Formula | - C8 H5 N O - |
| Calculated formula | - C8 H5 N O - |
| Title of publication | 2-Formylbenzonitrile |
| Authors of publication | Britton, Doyle; Cramer, Christopher J. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o307 - o309 |
| a | 3.7889 ± 0.0009 Å |
| b | 15.58 ± 0.004 Å |
| c | 10.759 ± 0.003 Å |
| α | 90° |
| β | 93.73 ± 0.03° |
| γ | 90° |
| Cell volume | 633.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.051 |
| Residual factor for observed reflections | 0.042 |
| Weighted residual factors for the observed reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for observed reflections | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |