Information card for entry 8106950

Structure parameters

• Formula: C25 H23 N7 O
• Calculated formula: C25 H23 N7 O
• Title of publication: Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
• Authors of publication: Amr, Abd El-Galil E.; Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Ali, Korany K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 597 - 599
• a: 12.2755 ± 0.0004 Å
• b: 6.2753 ± 0.0002 Å
• c: 30.379 ± 0.0008 Å
• α: 90°
• β: 112.475 ± 0.002°
• γ: 90°
• Cell volume: 2162.42 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No