Information card for entry 2231600

Structure parameters

• 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 ų
• 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