Information card for entry 2237704

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1<i>H</i>-pyrazol-1-yl]prop-2-enal
• Formula: C20 H18 N2 O3
• Calculated formula: C20 H18 N2 O3
• SMILES: n1(nc(cc1)c1ccc(cc1)OC)/C(=C/C=O)c1ccc(cc1)OC
• Title of publication: (<i>E</i>)-3-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1<i>H</i>-pyrazol-1-yl]prop-2-enal
• Authors of publication: Susindran, V.; Athimoolam, S.; Bahadur, S. Asath; Manikannan, R.; Muthusubramanian, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o594 - o595
• a: 8.8081 ± 0.0006 Å
• b: 9.8474 ± 0.0005 Å
• c: 10.3292 ± 0.0008 Å
• α: 94.997 ± 0.012°
• β: 93.811 ± 0.014°
• γ: 106.719 ± 0.013°
• Cell volume: 850.85 ± 0.12 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: 0.0443
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1074
• 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: Yes