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Information card for entry 2311129
Preview
| Coordinates | 2311129.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-[4-(Trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole |
|---|---|
| Formula | C14 H9 F3 N2 O |
| Calculated formula | C14 H9 F3 N2 O |
| Title of publication | 2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole. |
| Authors of publication | Fathima, Nikhath; Krishnamurthy, M. S.; Begum, Noor Shahina |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 2 |
| Pages of publication | o264 |
| a | 14.476 ± 0.006 Å |
| b | 9.312 ± 0.004 Å |
| c | 9.835 ± 0.004 Å |
| α | 90° |
| β | 108.192 ± 0.008° |
| γ | 90° |
| Cell volume | 1259.5 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1164 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245601 (current) | 2019-12-25 | cif/ Adding structures of 2311129 via cif-deposit CGI script. |
2311129.cif |
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