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Information card for entry 2006933
Preview
| Coordinates | 2006933.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | N-Benzyl-3- Benzylidene Isoindolin-1- one |
|---|---|
| Chemical name | N-Benzyl-3- Benzylidene Isoindolin-1- one |
| Formula | C22 H17 N O |
| Calculated formula | C22 H17 N O |
| SMILES | O=C1N(Cc2ccccc2)C(=C/c2ccccc2)\c2c1cccc2 |
| Title of publication | <i>N</i>-Benzyl-3-benzylideneisoindolin-1-one |
| Authors of publication | M. Wahab Khan; Subhadra Guha; Alok K. Mukherjee; Nitya G. Kundu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 119 - 120 |
| a | 8.545 ± 0.001 Å |
| b | 9.643 ± 0.001 Å |
| c | 10.807 ± 0.001 Å |
| α | 88.8 ± 0.01° |
| β | 67.61 ± 0.01° |
| γ | 82.98 ± 0.01° |
| Cell volume | 816.87 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections | 0.1206 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Goodness-of-fit parameter for all reflections | 1.112 |
| Goodness-of-fit parameter for significantly intense reflections | 1.137 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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