Information card for entry 2234483

Structure parameters

• Chemical name: 2-[(3,5-Diphenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine
• Formula: C21 H17 N3
• Calculated formula: C21 H17 N3
• SMILES: n1n(c(cc1c1ccccc1)c1ccccc1)Cc1ncccc1
• Title of publication: 2-[(3,5-Diphenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine
• Authors of publication: Guzei, Ilia A.; Okemwa, Teddy T.; Ojwach, Stephen O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1190
• a: 12.5776 ± 0.0008 Å
• b: 16.531 ± 0.001 Å
• c: 7.9421 ± 0.0005 Å
• α: 90°
• β: 97.759 ± 0.001°
• γ: 90°
• Cell volume: 1636.21 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes