Information card for entry 7708573

Structure parameters

• Formula: C16 H24 N2 O S
• Calculated formula: C16 H24 N2 O S
• SMILES: S=C(Nc1ccccc1)NC(=O)CCCCCCCC
• Title of publication: Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies
• Authors of publication: Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 34.478 ± 0.0013 Å
• b: 5.202 ± 0.0002 Å
• c: 18.861 ± 0.0009 Å
• α: 90°
• β: 91.9433 ± 0.0018°
• γ: 90°
• Cell volume: 3380.9 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No