MOESM1 of Stereoselective synthesis, X-ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents

Autor: Yahia Mabkhot, Alharbi, Mohammed, Al-Showiman, Salim, Ghabbour, Hazem, Kheder, Nabila, Soliman, Saied, Frey, Wolfgang
Rok vydání: 2018
DOI: 10.6084/m9.figshare.6254249.v1
Popis: Additional file 1: Table S1. The crystal and experimental data of thiazole 6. Table S2. Selected geometric parameters (Å, °) of thiazole 6. Table S3. Hydrogen-bond geometry (Å, °) of thiazole 6. Table S4. The crystal and experimental data of thiazole 11. Table S5. Selected geometric parameters (Å, °) thiazole 11. Table S6. Hydrogen-bond geometry (Å, °) thiazole 11. Figure S1. The atom numbering scheme of the optimized molecular structures of the studied molecules. Table S7. The experimental and calculated geometric parameters of the studied molecules. Table S8. The natural atomic charges of the studied systems using B3LYP method.
Databáze: OpenAIRE