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Information card for entry 2011119
Preview
| Coordinates | 2011119.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 3-Fluoro-2-[1-(1-naphthyl)ethyl]benzoic acid. |
|---|---|
| Formula | C19 H15 F O2 |
| Calculated formula | C19 H15 F O2 |
| SMILES | Fc1c(c(ccc1)C(=O)O)C(c1cccc2ccccc12)C |
| Title of publication | Hydrogen bonding and C—H···<i>X</i> interactions in 3-fluoro-2-[1-(1-naphthyl)ethyl]benzoic acid |
| Authors of publication | Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 850 - 852 |
| a | 7.5402 ± 0.0006 Å |
| b | 10.4339 ± 0.0012 Å |
| c | 10.816 ± 0.0011 Å |
| α | 113.796 ± 0.008° |
| β | 91.867 ± 0.008° |
| γ | 103.108 ± 0.009° |
| Cell volume | 750.92 ± 0.14 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.7 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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