Information card for entry 7159210

Structure parameters

• Chemical name: Copper di-[5-(2-methoxyethoxy)methyl)pyridine-2-thiolate-N-oxide]
• Formula: C18 H24 Cu N2 O6 S2
• Calculated formula: C18 H24 Cu N2 O6 S2
• Title of publication: Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity.
• Authors of publication: Mishra, Atreyee; Djoko, Karrera Y.; Lee, Yi-Hsuan; Lord, Rianne M.; Kaul, Grace; Akhir, Abdul; Saxena, Deepanshi; Chopra, Sidharth; Walton, James W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2539 - 2544
• a: 4.2745 ± 0.0002 Å
• b: 16.1974 ± 0.0007 Å
• c: 23.4885 ± 0.0011 Å
• α: 106.784 ± 0.002°
• β: 92.454 ± 0.002°
• γ: 95.446 ± 0.002°
• Cell volume: 1545.73 ± 0.12 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No