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Information card for entry 2008937
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| Coordinates | 2008937.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 9-(4H-1,2,4-triazol-4-ylimino)-4,5-diazafluorene |
|---|---|
| Formula | C13 H8 N6 |
| Calculated formula | C13 H8 N6 |
| SMILES | n1(N=C2c3cccnc3c3ncccc23)cnnc1 |
| Title of publication | 9-(4<i>H</i>-1,2,4-Triazol-4-ylimino)-4,5-diazafluorene |
| Authors of publication | S. Shanmuga Sundara Raj; Hoong-Kun Fun; Dun-ru Zhu; Fang-Fang Jian; Koulin Zhang; Xiao-Zeng You |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1526 - 1528 |
| a | 18.304 ± 0.001 Å |
| b | 10.488 ± 0.001 Å |
| c | 14.267 ± 0.001 Å |
| α | 90° |
| β | 123.79 ± 0.001° |
| γ | 90° |
| Cell volume | 2276.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.121 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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