Information card for entry 2240746

Structure parameters

• Chemical name: (4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-Chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C19 H15 Cl N2 O2
• Calculated formula: C19 H15 Cl N2 O2
• SMILES: c1(ccccc1)N1C(=O)/C(=C(/C=C/c2ccccc2Cl)O)C(=N1)C
• Title of publication: Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Shahid, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Salim, Muhammad; Malik, Khizar Iqbal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o407 - o408
• a: 7.2348 ± 0.0003 Å
• b: 12.8737 ± 0.0006 Å
• c: 17.7843 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.41 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes