Polymorphism of Nicotinamide Riboside Chloride and Crystal Structure Determination of the Most Stable Crystalline Form

IF 0.4 4区化学 Q4 CRYSTALLOGRAPHY Journal of Chemical Crystallography Pub Date : 2023-05-25 DOI:10.1007/s10870-023-00985-1

Dedong Wu, Branden Wu, Pingrong Wei

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Abstract

Three crystalline forms of nicotinamide riboside chloride (NR-Cl), namely Form A, Form B and Form C, were prepared and characterized. Form A and Form B are true polymorphs of anhydrous forms, while Form C is a pseudo-polymorph of a methanolate solvate form. The relative polymorphic stability relationship among these three crystalline forms was established, and Form B was found to be the most stable form with a higher crystal density (1.591 Mg/m³) and a higher melting/decomposing temperature (123 °C) compared to that of Form A (1.512 Mg/m³ and 119 °C). The crystal structure of Form B (orthorhombic P2₁2₁2₁ space group, a = 7.0008(11) Å, b = 9.6465(15) Å, c = 17.971(3) Å, V = 1213.7(3) Å³, Z = 4) was determined by single crystal X-ray diffraction analysis.

Index Abstract

The crystal structure of the most stable polymorph of nicotinamide riboside chloride (NR-Cl) is reported.

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烟酰胺核苷氯的多态性及最稳定晶型的晶体结构测定

制备了三种不同结晶形式的烟酰胺核苷氯(NR-Cl)，即A型、B型和C型。形式A和形式B是无水形式的真多晶型，而形式C是甲醇酸溶剂化物形式的伪多晶型。建立了三种晶型之间的相对晶型稳定性关系，发现B型晶型相对于a型(1.512 Mg/m3, 119℃)具有更高的晶密度(1.591 Mg/m3)和更高的熔化/分解温度(123℃)，是最稳定的晶型。通过单晶x射线衍射分析确定了形式B(正交P212121空间群，a = 7.0008(11) Å， B = 9.6465(15) Å， c = 17.971(3) Å， V = 1213.7(3) Å3, Z = 4)的晶体结构。摘要报道了最稳定的烟酰胺核苷氯(NR-Cl)多晶型的晶体结构。

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.