Information card for entry 2229033

Structure parameters

• Chemical name: (<i>Z</i>)-4-{1-[(2-Hydroxyethyl)amino]ethylidene}-3-methyl-1-phenyl-1<i>H</i>-\ pyrazol-5(4<i>H</i>)-one
• Formula: C14 H17 N3 O2
• Calculated formula: C14 H14 N3 O2
• Title of publication: (<i>Z</i>)-4-{1-[(2-Hydroxyethyl)amino]ethylidene}-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Jayarajan, R.; Sharmila, P.; Jagadeesan, G.; Vasuki, G.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o444
• a: 22.4703 ± 0.0013 Å
• b: 7.0902 ± 0.0004 Å
• c: 18.0565 ± 0.0011 Å
• α: 90°
• β: 110.926 ± 0.007°
• γ: 90°
• Cell volume: 2687 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes