Information card for entry 2010646

Structure parameters

• Chemical name: (E)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole
• Formula: C23 H16 N4 O4
• Calculated formula: C23 H16 N4 O4
• SMILES: o1nc(cc1C(=O)C(=N/Nc1ccc(N(=O)=O)cc1)/c1ccccc1)c1ccccc1
• Title of publication: (<i>E</i>)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole
• Authors of publication: Bruno, Giuseppe; Nicoló, Francesco; Panzalorto, Manuela; Gattuso, Mario; La Torre, G. Loredana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 254 - 255
• a: 5.787 ± 0.001 Å
• b: 29.089 ± 0.003 Å
• c: 11.881 ± 0.001 Å
• α: 90°
• β: 100.49 ± 0.01°
• γ: 90°
• Cell volume: 1966.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for all reflections: 0.835
• Goodness-of-fit parameter for significantly intense reflections: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes