Information card for entry 2230444

Structure parameters

• Chemical name: 2-[2-(3-Chlorophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Formula: C21 H15 Cl N2 O2
• Calculated formula: C21 H15 Cl N2 O2
• SMILES: Clc1cc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)ccc1
• Title of publication: 2-[2-(3-Chlorophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Authors of publication: Bustos, Carlos; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Ibañez, Andrés; Sánchez, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1450 - o1451
• a: 10.297 ± 0.0009 Å
• b: 10.3526 ± 0.0009 Å
• c: 16.8926 ± 0.0015 Å
• α: 90°
• β: 102.131 ± 0.001°
• γ: 90°
• Cell volume: 1760.6 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes