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Information card for entry 2203317
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| Coordinates | 2203317.cif |
|---|---|
| Structure factors | 2203317.hkl |
| Original IUCr paper | HTML |
| Formula | C16 H10 N4 |
|---|---|
| Calculated formula | C16 H10 N4 |
| SMILES | C(#N)C(C#N)=C1N(c2ccccc2)c2ccccc2N1 |
| Title of publication | (1-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-ylidene)malonodinitrile |
| Authors of publication | Yin-Xiang Lu; Peng Guo; Yong-zhi Cai; Wei Xu; Lin-Hong Weng; Yong-Ming Huang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | o431 - o432 |
| a | 10.377 ± 0.003 Å |
| b | 17.876 ± 0.005 Å |
| c | 7.226 ± 0.002 Å |
| α | 90° |
| β | 106.235 ± 0.004° |
| γ | 90° |
| Cell volume | 1287 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0948 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| 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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