Information card for entry 2233526

Structure parameters

• Chemical name: <i>N</i>'-[(<i>Z</i>)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
• Formula: C19 H18 N4 O3
• Calculated formula: C19 H18 N4 O3
• SMILES: O=C1N(N(C(=C1/C=N\NC(=O)c1c(O)cccc1)C)C)c1ccccc1
• Title of publication: <i>N</i>'-[(<i>Z</i>)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
• Authors of publication: Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Ejaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o352
• a: 25.2357 ± 0.0006 Å
• b: 8.5624 ± 0.0002 Å
• c: 16.0329 ± 0.0004 Å
• α: 90°
• β: 104.048 ± 0.001°
• γ: 90°
• Cell volume: 3360.75 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes