Information card for entry 2224456

Structure parameters

• Chemical name: (4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(4-methoxyphenyl)prop-2-enylidene]-3- methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C20 H18 N2 O3
• Calculated formula: C20 H18 N2 O3
• SMILES: O=C1N(N=C(C\1=C(\O)/C=C/c1ccc(OC)cc1)C)c1ccccc1
• Title of publication: (4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(4-methoxyphenyl)prop-2-enylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Malik, Khizar Iqbal; Munawar, Munawar Ali; Khan, Misbahul Ain; Nadeem, Sohail; Mukhtar-ul-Hassan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3046
• a: 5.0803 ± 0.0002 Å
• b: 22.7645 ± 0.0009 Å
• c: 14.588 ± 0.0006 Å
• α: 90°
• β: 97.626 ± 0.002°
• γ: 90°
• Cell volume: 1672.19 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes