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Information card for entry 2204926
Preview
| Coordinates | 2204926.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-[2-(5-Nitrobenzimidazol-1-yl)ethyl]morpholinium chloride |
|---|---|
| Formula | C13 H17 Cl N4 O3 |
| Calculated formula | C13 H17 Cl N4 O3 |
| SMILES | O=N(=O)c1ccc2ncn(c2c1)CC[NH+]1CCOCC1.[Cl-] |
| Title of publication | 1-[2-(5-Nitro-1<i>H</i>-benzimidazol-1-yl)ethyl]morpholinium chloride |
| Authors of publication | Mehmet Akkurt; Sevim Türktekin; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | o166 - o168 |
| a | 7.0522 ± 0.0005 Å |
| b | 9.9537 ± 0.0008 Å |
| c | 9.9895 ± 0.0007 Å |
| α | 83.607 ± 0.006° |
| β | 80.386 ± 0.006° |
| γ | 89.477 ± 0.006° |
| Cell volume | 687.04 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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