期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2018
卷号：9
期号：7
页码：1950-1956
DOI：10.26872/jmes.2018.9.7.215
出版社：University of Mohammed Premier Oujda
摘要：In the present work, an efficient method to dimerize the parahydroxybenzaldehydeusing two carbon linker 1,2-dibromo ethane is reported. The synthetic scheme wasoptimized to get good yields and the product was purified to get good quality crystals.Further, the molecular structure was confirmed by single crystal X-ray diffractionstudies. The 4,4'-(ethane-1,2-diylbis(oxy))dibenzoic acid crystallizes in the monocliniccrystal system, in C2/c space group with unit cell parameters, a = 16.233(6) Å, b =11.448(4) Å, c = 7.920(3) Å, β = 115.597(13)° and Z = 4. The crystal structure of thetitle compound exhibits π···π and C—H···π interactions and contributes to the structuralstability. Further, the DFT-structure optimization and Hirshfeld surface analysis wereperformed for the structure of the desired compound; fingerprint plot reveals thepercentage contribution from each individual molecular contact, and it shows that theH···H interactions has the major contribution (30.8%).
