Information card for entry 2241963

Structure parameters

• Chemical name: (3<i>Z</i>)-4-Benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3<i>H</i>)-one
• Formula: C23 H14 N4 O7
• Calculated formula: C23 H14 N4 O7
• SMILES: N(c1c(cc(cc1)N(=O)=O)N(=O)=O)/N=C1/C(=C(c2ccccc2)OC1=O)C(=O)c1ccccc1
• Title of publication: Crystal structure and computational studies of (3<i>Z</i>)-4-benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3<i>H</i>)-one
• Authors of publication: Köysal, Yavuz; Bülbül, Hakan; İlhan, İlhan Özer; Akın, Nazenin; Dege, Necmi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1852 - 1855
• a: 20.7156 ± 0.0011 Å
• b: 6.366 ± 0.0003 Å
• c: 16.0288 ± 0.0007 Å
• α: 90°
• β: 105.183 ± 0.004°
• γ: 90°
• Cell volume: 2040.02 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes