Information card for entry 7054124

Structure parameters

• Common name: 3-chloro-lawsone oxime
• Formula: C10 H7 Cl N O3.5
• Calculated formula: C10 H7 Cl N O3.5
• SMILES: O/N=C\1C(=C(Cl)C(=O)c2ccccc12)O.O
• Title of publication: Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone
• Authors of publication: Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1615
• a: 20.874 ± 0.013 Å
• b: 20.426 ± 0.012 Å
• c: 4.638 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1978 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.1048
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No