Information card for entry 2230452

Structure parameters

• Chemical name: 2-[2-(4-Bromophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Formula: C21 H15 Br N2 O2
• Calculated formula: C21 H15 Br N2 O2
• SMILES: Brc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1
• Title of publication: 2-[2-(4-Bromophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Authors of publication: Bustos, Carlos; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Garland, Maria Teresa; Sánchez, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1426
• a: 12.0273 ± 0.0009 Å
• b: 10.2977 ± 0.0008 Å
• c: 14.2626 ± 0.0011 Å
• α: 90°
• β: 96.452 ± 0.001°
• γ: 90°
• Cell volume: 1755.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.036
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes