Information card for entry 2206877

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(N\N=C1/C(=O)Nc2ccccc12)c1ccccc1
• Title of publication: Isatin 3-benzoylhydrazone: a monoclinic 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: o3285 - o3286
• a: 8.9279 ± 0.0006 Å
• b: 12.1099 ± 0.0009 Å
• c: 11.7567 ± 0.0009 Å
• α: 90°
• β: 95.117 ± 0.001°
• γ: 90°
• Cell volume: 1266.02 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No