Information card for entry 2241394

Structure parameters

• Chemical name: 3-(4-Methylphenyl)-1-phenyl-5-[(<i>E</i>)-2-phenylethenyl]-1<i>H</i>-pyrazole
• Formula: C24 H20 N2
• Calculated formula: C24 H20 N2
• SMILES: n1(nc(cc1/C=C/c1ccccc1)c1ccc(cc1)C)c1ccccc1
• Title of publication: Crystal structure of 3-(4-methylphenyl)-1-phenyl-5-[(<i>E</i>)-2-phenylethenyl]-1<i>H</i>-pyrazole
• Authors of publication: Adam, Farook; Charishma, Sharath Poojary; Prabhu, Basrur Ramya; Samshuddin, Seranthimata; Ameram, Nadiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1020
• a: 9.647 ± 0.0008 Å
• b: 14.1077 ± 0.0012 Å
• c: 14.0062 ± 0.0012 Å
• α: 90°
• β: 104.891 ± 0.001°
• γ: 90°
• Cell volume: 1842.2 ± 0.3 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: 0.0817
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes