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Information card for entry 2242694
Preview
| Coordinates | 2242694.cif |
|---|---|
| Structure factors | 2242694.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-Butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride |
|---|---|
| Formula | C18 H24 Cl N3 O |
| Calculated formula | C18 H24 Cl N3 O |
| Title of publication | Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride |
| Authors of publication | Zende, Vidya; Girase, Tejpalsingh Ramsingh; Chrysochos, Nicolas; Kapdi, Anant Ramakant; Schulzke, Carola |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1665 - 1668 |
| a | 36.27 ± 0.007 Å |
| b | 5.3986 ± 0.0011 Å |
| c | 18.62 ± 0.004 Å |
| α | 90° |
| β | 103.34 ± 0.03° |
| γ | 90° |
| Cell volume | 3547.6 ± 1.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1106 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211682 (current) | 2018-10-27 | cif/ hkl/ Adding structures of 2242694 via cif-deposit CGI script. |
2242694.cif 2242694.hkl |
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