Crystal Structures and Spectroscopy of Anti-2,4-bis(3-R-phenyl)pentane-2,4-diols (R = Me, SMe)  

作　　者：焦银春 曹晨忠 赵小林 

机构地区：[1]School of Chemistry and Chemical Engineering, Central South University [2]School of Chemistry and Chemical Engineering, Hunan University of Science and Technology [3]Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology [4]Hunan Provincial University Key Laboratory of QSAR/QSPR

出　　处：《Chinese Journal of Structural Chemistry》2012年第12期1713-1720,共8页结构化学（英文）

基　　金：supported by NNSFC (21072053);the Scientific Research Fund of Hunan Provincial Education Department (10K025, 11C0527);the Open Foundation of Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education;Hunan University of Science and Technology (No. LKF0901)

摘　　要：Two anti-2,4-bis（3-R-phenyl）pentane-2,4-diols （1, R = Me; 2, R = SMe） have been synthesized and were characterized by X-ray diffraction, IR and UV spectra. X-ray diffractions indicate that intra- and intermolecular hydrogen bonding interactions form one-dimensional （ID） ribbons. The adjacent infinite I D ribbons result in 3D supramolecular structures. The dihedral angles between every two benzene rings in the two diols are 31.61（12） and 31.80（7）°, respectively. UV absorption spectra of the title compounds were recorded in MeOH, C2H5OH, CH3CN, n-BuOH and cyclohexane solvents with different dielectric constants.Two anti-2,4-bis（3-R-phenyl）pentane-2,4-diols （1, R = Me; 2, R = SMe） have been synthesized and were characterized by X-ray diffraction, IR and UV spectra. X-ray diffractions indicate that intra- and intermolecular hydrogen bonding interactions form one-dimensional （ID） ribbons. The adjacent infinite I D ribbons result in 3D supramolecular structures. The dihedral angles between every two benzene rings in the two diols are 31.61（12） and 31.80（7）°, respectively. UV absorption spectra of the title compounds were recorded in MeOH, C2H5OH, CH3CN, n-BuOH and cyclohexane solvents with different dielectric constants.

关 键 词：crystal structure hydrogen bonds UV absorption solvent effect 

分 类 号：O625[理学—有机化学]