Information card for entry 1565609

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• Title of publication: Syntheses, spectroscopy, tautomerism, induced chirality and molecular structure of 3-(o/p-tolylimino)indolin-2-one and bis[3-(o/p-tolylimino)indole-2-olato-κ2N,O]-Δ/Λ-zinc(II)
• Authors of publication: Enamullah, Mohammed; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 501
• Pages of publication: 119245
• a: 15.1636 ± 0.0014 Å
• b: 9.9282 ± 0.0009 Å
• c: 16.9957 ± 0.0015 Å
• α: 90°
• β: 107.4 ± 0.004°
• γ: 90°
• Cell volume: 2441.6 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No