Information card for entry 2206878

Structure parameters

• Common name: Isatin 3-benzoylhydrazone
• Chemical name: 2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde benzoylhydrazone
• Formula: C15 H11 N3 O2
• Calculated formula: C15 H11 N3 O2
• SMILES: O=C(NN=C1C(=O)Nc2ccccc12)c1ccccc1
• Title of publication: Isatin 3-benzoylhydrazone: an orthorhombic form
• Authors of publication: Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3287 - o3288
• a: 8.0023 ± 0.0009 Å
• b: 28.549 ± 0.003 Å
• c: 5.2574 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes