Information card for entry 2219855

Structure parameters

• Common name: (E)-3-(4-Methylphenyl)-3-[3-(4-methylphenyl)-1H-pyrazol-1-yl]-2-propenal
• Chemical name: (<i>E</i>)-3-(4-Methylphenyl)-3-[3-(4-methylphenyl)-1<i>H</i>-pyrazol-1-yl]- 2-propenal
• Formula: C20 H18 N2 O
• Calculated formula: C20 H18 N2 O
• SMILES: O=C/C=C(/n1nc(cc1)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-3-(4-Methylphenyl)-3-[3-(4-methylphenyl)-1<i>H</i>-pyrazol-1-yl]-2-propenal
• Authors of publication: Ramesh, P.; Subbiahpandi, A.; Manikannan, Ramaiyan; Muthusubramanian, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2243
• a: 10.056 ± 0.0009 Å
• b: 10.0786 ± 0.0008 Å
• c: 10.3176 ± 0.0009 Å
• α: 62.04 ± 0.004°
• β: 79.356 ± 0.004°
• γ: 63.038 ± 0.004°
• Cell volume: 822.73 ± 0.13 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: 0.0628
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes