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Information card for entry 2241436
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| Coordinates | 2241436.cif |
|---|---|
| Structure factors | 2241436.hkl |
| Original IUCr paper | HTML |
| Common name | C~19~H~13~Cl~F~2~N~2~O~2 |
|---|---|
| Chemical name | <i>N</i>-{4-[(6-Chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide |
| Formula | C19 H13 Cl F2 N2 O2 |
| Calculated formula | C19 H13 Cl F2 N2 O2 |
| SMILES | c1(c(cccc1F)F)C(=O)Nc1ccc(cc1)OCc1ccc(Cl)nc1 |
| Title of publication | Crystal structure of <i>N</i>-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide |
| Authors of publication | Liang, Ying; Shi, Li-Qiao; Yang, Zi-Wen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 60 - 62 |
| a | 8.8173 ± 0.0011 Å |
| b | 10.7036 ± 0.0013 Å |
| c | 10.8452 ± 0.0014 Å |
| α | 61.939 ± 0.002° |
| β | 77.597 ± 0.002° |
| γ | 69.636 ± 0.002° |
| Cell volume | 845.15 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0513 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241436.cif 2241436.hkl |
| 176650 | 2016-02-17 | cif/ Updating files of 2241436 Original log message: Adding full bibliography for 2241436.cif. |
2241436.cif 2241436.hkl |
| 176597 | 2016-02-17 | cif/ Updating files of 2241436 Original log message: Adding full bibliography for 2241436.cif. |
2241436.cif 2241436.hkl |
| 171647 | 2015-12-20 | cif/ hkl/ Adding structures of 2241436 via cif-deposit CGI script. |
2241436.cif 2241436.hkl |
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