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Information card for entry 2241067
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| Coordinates | 2241067.cif |
|---|---|
| Structure factors | 2241067.hkl |
| Original IUCr paper | HTML |
| Common name | Fenclorim |
|---|---|
| Chemical name | 4,6-Dichloro-2-phenylpyrimidine |
| Formula | C10 H6 Cl2 N2 |
| Calculated formula | C10 H6 Cl2 N2 |
| SMILES | Clc1nc(nc(Cl)c1)c1ccccc1 |
| Title of publication | Crystal structure of fenclorim |
| Authors of publication | Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o714 |
| a | 5.621 ± 0.0006 Å |
| b | 17.0659 ± 0.0018 Å |
| c | 10.2582 ± 0.0012 Å |
| α | 90° |
| β | 99.69 ± 0.006° |
| γ | 90° |
| Cell volume | 970 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241067.cif 2241067.hkl |
| 158323 | 2015-09-26 | cif/ hkl/ Adding structures of 2241067 via cif-deposit CGI script. |
2241067.cif 2241067.hkl |
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public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.