Phase diagram, thermal, structural and optical studies of newly synthesized co-crystals

IF 3.1 3区工程技术 Q2 CHEMISTRY, ANALYTICAL

Journal of Thermal Analysis and Calorimetry Pub Date : 2026-04-07 DOI:10.1007/s10973-026-15410-w

Sumit Chaudhary, Rama Nand Rai

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Abstract

The phase diagram, physicochemical and thermodynamic studies of newly synthesized co-crystals formed by the complexation in two organic pharmaceutical compounds namely nicotinamide (NIC)—3-nitrobenzoic acid (NBA) and sulfanilamide (SUL)—3-hydroxy-4-methoxybenzaldehyde (HMB) are reported. The individual phase diagram forming the co-crystals has been established. A phase diagram is a significant study to find the precise stoichiometric ratio at which the formation of new molecular complex/co-crystal would take place. The solvent-free solid-state synthesis method has been adopted for the synthesis of binary compounds in the entire range of compositions. The two novel co-crystals formed at 2:1 molar ratio in NIC–NBA and 1:1 molar ratio in SUL–HMB system along with two eutectics on either side of the co-crystal. The pure and single-phase behaviour of co-crystals and their melting are studied using the DSC method. The DSC of eutectics formed in both systems is also studied. Using the experimental heat of fusion values, obtained from DSC, various thermodynamic parameters of co-crystals and eutectics have been studied and are being reported first time. Besides the phase diagram and DSC studies, FTIR, PXRD and UV–Vis is absorption and emission studies also confirm the formation of co-crystals and change in their structures in comparison with that of the parent components.

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新合成的共晶的相图、热、结构和光学研究

本文报道了两种有机药物化合物烟酰胺(NIC) - 3-硝基苯甲酸（NBA）和磺胺(SUL) - 3-羟基-4-甲氧基苯甲醛（HMB）络合形成的新合成的共晶的相图、物理化学和热力学研究。建立了形成共晶的单个相图。相图是发现新分子络合物/共晶形成的精确化学计量比的一项重要研究。在整个组合物范围内，采用无溶剂固态合成方法合成二元化合物。在NIC-NBA体系和su - hmb体系中，两种新型共晶的摩尔比分别为2:1和1:1，并在共晶的两侧形成两个共晶。用DSC法研究了共晶的纯态和单相行为及其熔化过程。研究了两种体系中形成的共晶的DSC。利用DSC得到的实验熔热值，研究了共晶和共晶的各种热力学参数，这是首次报道。除了相图和DSC研究外，FTIR、PXRD和UV-Vis的吸收和发射研究也证实了共晶的形成及其与母体组分相比结构的变化。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Thermal Analysis and Calorimetry 化学-分析化学

CiteScore

8.50

自引率

9.10%

发文量

577

审稿时长

3.8 months

期刊介绍： Journal of Thermal Analysis and Calorimetry is a fully peer reviewed journal publishing high quality papers covering all aspects of thermal analysis, calorimetry, and experimental thermodynamics. The journal publishes regular and special issues in twelve issues every year. The following types of papers are published: Original Research Papers, Short Communications, Reviews, Modern Instruments, Events and Book reviews. The subjects covered are: thermogravimetry, derivative thermogravimetry, differential thermal analysis, thermodilatometry, differential scanning calorimetry of all types, non-scanning calorimetry of all types, thermometry, evolved gas analysis, thermomechanical analysis, emanation thermal analysis, thermal conductivity, multiple techniques, and miscellaneous thermal methods (including the combination of the thermal method with various instrumental techniques), theory and instrumentation for thermal analysis and calorimetry.