Information card for entry 7054126

Structure parameters

• Common name: 3-iodo-lawsone oxime
• Formula: C10 H10 I N O5
• Calculated formula: C10 H10 I N O5
• SMILES: IC1=C(O)/C(=N/O)c2ccccc2C1=O.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: 15.892 ± 0.003 Å
• b: 4.5575 ± 0.0009 Å
• c: 18.335 ± 0.004 Å
• α: 90°
• β: 110.667 ± 0.003°
• γ: 90°
• Cell volume: 1242.5 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0283
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No