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Information card for entry 2241960
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| Coordinates | 2241960.cif |
|---|---|
| Structure factors | 2241960.hkl |
| Original paper (by DOI) | HTML |
| Common name | fluroxypyr |
|---|---|
| Chemical name | 2-[(4-Amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid |
| Formula | C7 H5 Cl2 F N2 O3 |
| Calculated formula | C7 H5 Cl2 F N2 O3 |
| SMILES | Clc1c(F)nc(OCC(=O)O)c(Cl)c1N |
| Title of publication | Crystal structure of fluroxypyr |
| Authors of publication | Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1836 - 1838 |
| a | 7.1116 ± 0.0009 Å |
| b | 7.6131 ± 0.0009 Å |
| c | 8.9414 ± 0.0011 Å |
| α | 86.927 ± 0.006° |
| β | 80.354 ± 0.006° |
| γ | 72.587 ± 0.005° |
| Cell volume | 455.38 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188677 (current) | 2016-11-26 | cif/ hkl/ Adding structures of 2241960 via cif-deposit CGI script. |
2241960.cif 2241960.hkl |
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Users of the data should acknowledge the original authors of the
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