Information card for entry 2240630

Structure parameters

• Chemical name: (4<i>Z</i>)-4-[(2<i>E</i>)-3-(4-Chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-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: Clc1ccc(/C=C/C(=C2/C(=O)N(N=C2C)c2ccccc2)O)cc1
• Title of publication: Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-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: o393 - o394
• a: 11.3207 ± 0.0006 Å
• b: 11.4044 ± 0.0006 Å
• c: 15.2839 ± 0.0009 Å
• α: 70.567 ± 0.003°
• β: 70.925 ± 0.003°
• γ: 62.621 ± 0.002°
• Cell volume: 1616.4 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes