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Information card for entry 2241245
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| Coordinates | 2241245.cif |
|---|---|
| Structure factors | 2241245.hkl |
| Original IUCr paper | HTML |
| Common name | 2-fluoro-N-(thiazol-2-yl)benzamide |
|---|---|
| Formula | C10 H7 F N2 O S |
| Calculated formula | C10 H7 F N2 O S |
| SMILES | s1c(NC(=O)c2c(F)cccc2)ncc1 |
| Title of publication | Crystal structure of 2-fluoro-<i>N</i>-(1,3-thiazol-2-yl)benzamide |
| Authors of publication | Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Becerra, Diana; Camargo, Hernando; Henao, José A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o882 - o883 |
| a | 12.2171 ± 0.0008 Å |
| b | 5.0741 ± 0.0003 Å |
| c | 15.7078 ± 0.001 Å |
| α | 90° |
| β | 98.82 ± 0.006° |
| γ | 90° |
| Cell volume | 962.22 ± 0.11 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 6 |
| 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241245.cif 2241245.hkl |
| 169838 | 2015-10-29 | cif/ hkl/ Adding structures of 2241245 via cif-deposit CGI script. |
2241245.cif 2241245.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.