Information card for entry 2240576

Structure parameters

• Chemical name: (4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(naphthalen-2-yl)prop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• SMILES: O=C1N(N=C(C\1=C(O)/C=C/c1ccc2ccccc2c1)C)c1ccccc1
• Title of publication: Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-1-hydroxy-3-(naphthalen-2-yl)prop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Salim, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Shahid, Muhammad; Malik, Khizar Iqbal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o381
• a: 6.7067 ± 0.0008 Å
• b: 17.525 ± 0.002 Å
• c: 15.784 ± 0.002 Å
• α: 90°
• β: 101.152 ± 0.006°
• γ: 90°
• Cell volume: 1820.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes