研究目的
Investigating the synthesis, spectroscopic characterization, and crystal structure determination of 3-benzoyl-4-hydroxybenzoic acid, including its thermal stability and molecular packing through energy-framework analyses.
研究成果
The study successfully synthesized and characterized 3-benzoyl-4-hydroxybenzoic acid, determining its crystal structure and thermal stability. The molecular packing was analyzed through energy frameworks, showing dominance of electrostatic energy over dispersion energy. The compound's thermal stability is attributed to the presence of acidic dimers.
研究不足
The study focuses on the synthesis and characterization of a specific benzophenone derivative, with limitations in the scope of biological activity testing and comparison with a broader range of derivatives.
1：Experimental Design and Method Selection:
The synthesis of 3-benzoyl-4-hydroxybenzoic acid involved heating 4-(Benzoyloxy) methyl benzoate and anhydrous aluminum chloride, followed by reflux with sodium hydroxide and acidification with HCl. The structure was determined using single crystal X-ray diffraction, and thermal studies were conducted using TGA.
2：Sample Selection and Data Sources:
Single crystals of the compound were selected for X-ray diffraction studies.
3：List of Experimental Equipment and Materials:
Rigaku Saturn-724 diffractometer, FT-IR Agilent ATR Cary 630 spectrophotometer, Agilent 400 MHz NMR spectrophotometer, VG70-70H spectrophotometer, Shimadzu UV-1800 double beam UV spectrophotometer.
4：Experimental Procedures and Operational Workflow:
The compound was synthesized, characterized by spectroscopic methods, and its crystal structure was determined. Hirshfeld surface analysis and energy framework analysis were performed.
5：Data Analysis Methods:
The structure was solved by direct methods and refined by full-matrix least squares method on F2 using SHELXS and SHELXL programs. Hirshfeld surfaces and 2D fingerprint plots were used for intercontacts analysis.
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