Information card for entry 2230971

Structure parameters

• Chemical name: 2-[2-(4-methoxyphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Formula: C22 H18 N2 O3
• Calculated formula: C22 H18 N2 O3
• SMILES: O=C(C(=NNc1ccc(OC)cc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: A second monoclinic polymorph of 2-[2-(4-methoxyphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Authors of publication: Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Cárcamo, Juan-Guillermo; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1830 - o1831
• a: 12.3045 ± 0.0011 Å
• b: 11.055 ± 0.001 Å
• c: 14.2435 ± 0.0013 Å
• α: 90°
• β: 113.683 ± 0.001°
• γ: 90°
• Cell volume: 1774.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0476
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes