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Information card for entry 2205153
Preview
| Coordinates | 2205153.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-Ethyl-1-[2-(1-ethylmorpholinium-1-yl)ethyl]benzimidazolium diiodide monohydrate |
|---|---|
| Formula | C17 H29 I2 N3 O2 |
| Calculated formula | C17 H29 I2 N3 O2 |
| SMILES | O1CC[N+](CC[n+]2c3c(n(c2)CC)cccc3)(CC1)CC.O.[I-].[I-] |
| Title of publication | 3-Ethyl-1-[2-(1-ethylmorpholinium-1-yl)ethyl]benzimidazolium diiodide monohydrate |
| Authors of publication | Mehmet Akkurt; Sema Öztürk Yıldırım; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | o301 - o303 |
| a | 7.527 ± 0.005 Å |
| b | 24.889 ± 0.005 Å |
| c | 11.757 ± 0.005 Å |
| α | 90° |
| β | 106.007 ± 0.005° |
| γ | 90° |
| Cell volume | 2117.2 ± 1.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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