Information card for entry 2200681

Structure parameters

• Chemical name: 1-(Pyridin-2-yl)-3-méthyl-4-(1-pyridin-2-yl-3-méthyl-1H-pyrazol-5-yl) -2H-3-pyrazoline-5(1H)-one
• Formula: C18 H16 N6 O
• Calculated formula: C18 H16 N6 O
• Title of publication: 3-Méthyl-1-(pyridin-2-yl)-4-(1-pyridin-2-yl-3-méthyl-1<i>H</i>-pyrazol-5-yl)-2<i>H</i>-3-pyrazolin-5(1<i>H</i>)-one
• Authors of publication: Djerrari, B.; Essassi, E. M.; Fifani, J.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1126 - o1127
• a: 18.297 ± 0.002 Å
• b: 7.7645 ± 0.0009 Å
• c: 11.928 ± 0.0008 Å
• α: 90°
• β: 102.681 ± 0.007°
• γ: 90°
• Cell volume: 1653.2 ± 0.3 ų
• Cell temperature: 298 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: 0.0718
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes