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Information card for entry 2204499
Preview
| Coordinates | 2204499.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-Isopropyl-3-(2-morpholinioethyl)benzimidazolium diiodide |
|---|---|
| Formula | C16 H25 I2 N3 O |
| Calculated formula | C16 H25 I2 N3 O |
| SMILES | O1CC[NH+](CC1)CCn1c2ccccc2[n+](c1)C(C)C.[I-].[I-] |
| Title of publication | 1-Isopropyl-3-(2-morpholinioethyl)benzimidazolium diiodide |
| Authors of publication | Mehmet Akkurt; Sevim Türktekin; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o2135 - o2137 |
| a | 12.078 ± 0.005 Å |
| b | 19.923 ± 0.005 Å |
| c | 8.336 ± 0.005 Å |
| α | 90° |
| β | 92.537 ± 0.005° |
| γ | 90° |
| Cell volume | 2003.9 ± 1.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0247 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0439 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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