Information card for entry 2237652

Structure parameters

• Chemical name: (<i>Z</i>)-4-[2-(2,4-Dimethylphenyl)hydrazinylidene]-3-methylpyrazol-5(1<i>H</i>)-one
• Formula: C12 H14 N4 O
• Calculated formula: C12 H14 N4 O
• SMILES: O=C1NN=C(/C1=N/Nc1c(cc(cc1)C)C)C
• Title of publication: (<i>Z</i>)-4-[2-(2,4-Dimethylphenyl)hydrazinylidene]-3-methylpyrazol-5(1<i>H</i>)-one
• Authors of publication: Sarojini, B. K.; Mohan, B. J.; Narayana, B.; Yathirajan, H. S.; Jasinski, Jerry P.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o532
• a: 5.2926 ± 0.0002 Å
• b: 22.1675 ± 0.0006 Å
• c: 10.0529 ± 0.0003 Å
• α: 90°
• β: 101.77 ± 0.003°
• γ: 90°
• Cell volume: 1154.64 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes