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Information card for entry 2206935
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| Coordinates | 2206935.cif |
|---|---|
| Structure factors | 2206935.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(benzimidazol-2-yl)methane |
|---|---|
| Formula | C15 H12 N4 |
| Calculated formula | C15 H12 N4 |
| SMILES | n1c2c([nH]c1Cc1nc3ccccc3[nH]1)cccc2 |
| Title of publication | Bis(benzimidazol-2-yl)methane |
| Authors of publication | Gui-Yun Duan; Ya-Wei Sun; Jun-Zhi Liu; Jian-Wu Wang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3476 - o3477 |
| a | 18.296 ± 0.004 Å |
| b | 18.296 ± 0.004 Å |
| c | 15.728 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5264.8 ± 1.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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