Information card for entry 8106520

Structure parameters

• Formula: C20 H17 N5 O
• Calculated formula: C20 H17 N5 O
• Title of publication: Crystal structure of 3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde, a rare Z′ = 3 structure, C20H17N5O
• Authors of publication: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 313 - 315
• a: 11.5358 ± 0.0007 Å
• b: 13.8746 ± 0.0009 Å
• c: 16.3942 ± 0.001 Å
• α: 85.958 ± 0.005°
• β: 87.407 ± 0.005°
• γ: 87.619 ± 0.005°
• Cell volume: 2612.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No