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Information card for entry 2011661
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| Coordinates | 2011661.cif |
|---|---|
| Structure factors | 2011661.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-nitrobenzyl)maleonitriledithioether |
|---|---|
| Formula | C18 H12 N4 O4 S2 |
| Calculated formula | C18 H12 N4 O4 S2 |
| SMILES | S(C(=C(SCc1ccc(N(=O)=O)cc1)/C#N)/C#N)Cc1ccc(cc1)N(=O)=O |
| Title of publication | 2,3-Bis(4-nitrobenzylthio)maleonitrile |
| Authors of publication | Ren, Xiao-Ming; Xu, Yan; Hu, Chuan-Jiang; Meng, Qing-Jin; Lu, Chang-Sheng; Wang, Hua-Ting |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1499 - 1500 |
| a | 29.456 ± 0.006 Å |
| b | 15.44 ± 0.003 Å |
| c | 8.19 ± 0.0016 Å |
| α | 90° |
| β | 99.52 ± 0.03° |
| γ | 90° |
| Cell volume | 3673.5 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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