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Information card for entry 2231600
Preview
| Coordinates | 2231600.cif |
|---|---|
| Structure factors | 2231600.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Cyclopropyl-<i>N</i>-[2-(2,4-difluorophenyl)-2-hydroxy- 3-(1<i>H</i>-1,2,4-triazol-1-yl)propyl]-2-(5-methyl-2,4-dioxo- 1,2,3,4-tetrahydropyrimidin-1-yl)acetamide dichloromethane 0.62-solvate |
|---|---|
| Formula | C21.62 H23.24 Cl1.24 F2 N6 O4 |
| Calculated formula | C21.618 H23.236 Cl1.236 F2 N6 O4 |
| Title of publication | <i>N</i>-Cyclopropyl-<i>N</i>-[2-(2,4-difluorophenyl)-2-hydroxy-1-(1<i>H</i>-1,2,4-triazol-1-yl)propyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide dichloromethane 0.62-solvate |
| Authors of publication | Wang, Nan; Guo, Huan-Mei; Hou, Gui-Ge; Hu, Xin-Yue; Meng, Qing-Guo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2464 |
| a | 8.474 ± 0.002 Å |
| b | 12.464 ± 0.003 Å |
| c | 13.41 ± 0.004 Å |
| α | 62.942 ± 0.004° |
| β | 73.187 ± 0.004° |
| γ | 83.746 ± 0.004° |
| Cell volume | 1207 ± 0.5 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 | 0.1229 |
| Residual factor for significantly intense reflections | 0.092 |
| Weighted residual factors for significantly intense reflections | 0.1939 |
| Weighted residual factors for all reflections included in the refinement | 0.2092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/16. |
2231600.cif 2231600.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231600.cif 2231600.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231600.cif 2231600.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231600.cif 2231600.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231600.cif 2231600.hkl |
| 27730 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231600 via cif-deposit CGI script. |
2231600.cif |
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Users of the data should acknowledge the original authors of the
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