Information card for entry 7059742

Structure parameters

• Common name: 2-((1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylene)hydrazine-1-carbothioamide '
• Formula: C12 H15 N3 O S
• Calculated formula: C12 H15 N3 O S
• Title of publication: Salicylaldehyde thiosemicarbazone copper complexes: impact of hybridization with estrone on cytotoxicity, solution stability and redox activity
• Authors of publication: Petrasheuskaya, Tatsiana V.; Kiss, Márton A.; Dömötör, Orsolya; Holczbauer, Tamás; May, Nóra V.; Spengler, Gabriella; Kincses, Annamária; Čipak Gašparović, Ana; Frank, Éva; Enyedy, Éva A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12154 - 12168
• a: 8.8483 ± 0.0007 Å
• b: 10.5831 ± 0.0007 Å
• c: 13.2516 ± 0.001 Å
• α: 90°
• β: 102.518 ± 0.007°
• γ: 90°
• Cell volume: 1211.41 ± 0.16 ų
• Cell temperature: 162 ± 2 K
• Ambient diffraction temperature: 162 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No