一种新的麦芽酚多晶型：结晶与结构完善

IF 1.5 4区材料科学 Q3 Chemistry

Crystal Research and Technology Pub Date : 2024-06-25 DOI:10.1002/crat.202300336

Kavipriya Srinivasan, Srinivasan Karuppannan

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引用次数: 0

摘要

通过以水和乙醇为混合溶剂、以 l- 薄荷醇为添加剂的溶液结晶过程，发现了麦芽酚的一种新的多晶体，麦芽酚是一种食品和医药中间体材料。它属于单斜晶系，晶格参数为：a = 7.136(8) Å，b = 24.23(3) Å，c = 7.020(8) Å，β = 106.22(3)° ，体积 = 1165 (2) Å3 ，细化系数 R = 6.64%。以单晶 X 射线衍射（SCXRD）数据为输入，通过 Hirshfeld 表面分析研究了麦芽酚新多晶体之间的分子间相互作用，发现多晶体之间（H...H）相互作用和（O...H）相互作用对新多晶体的生成有更大的贡献。二维指纹图显示，相互作用主要是由氢键引起的。

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A New Polymorphic Form of Maltol: Crystallization and Structure Refinement

A new polymorph of maltol, a food and intermediate pharmaceutical material, is discovered through solution crystallization process using a mixed solvent of water and ethanol with l-menthol as an additive. It belongs to monoclinic crystal system with lattice parameters: a = 7.136(8) Å, b = 24.23(3) Å, c = 7.020(8) Å, and β = 106.22(3)°, volume = 1165 (2) Å³ and the refinement factor is R = 6.64%. With single crystal X-ray diffraction (SCXRD) data as input, the intermolecular interactions between the new polymorph of maltol is investigated through Hirshfeld surface analysis, the higher percentage of overall interaction between the polymorph (H…H) interaction, and the (O…H) interaction contributes more to the generation of new polymorph. The 2D finger print plot depicts the interactions are mainly due to the hydrogen bonds.

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来源期刊

Crystal Research and Technology CRYSTALLOGRAPHY-

CiteScore

2.50

自引率

6.70%

发文量

121

审稿时长

1.9 months

期刊介绍： The journal Crystal Research and Technology is a pure online Journal (since 2012). Crystal Research and Technology is an international journal examining all aspects of research within experimental, industrial, and theoretical crystallography. The journal covers the relevant aspects of -crystal growth techniques and phenomena (including bulk growth, thin films) -modern crystalline materials (e.g. smart materials, nanocrystals, quasicrystals, liquid crystals) -industrial crystallisation -application of crystals in materials science, electronics, data storage, and optics -experimental, simulation and theoretical studies of the structural properties of crystals -crystallographic computing