2022
DOI: 10.3390/cryst12101479
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Intermolecular Hydrogen Bonding in Alpha-Hydroxy Carboxylic Acids Crystals: Connectivity, Synthons, Supramolecular Motifs

Abstract: Synthon theory underlies the analysis and empirical prediction of the crystal structure. Supramolecular synthons (SMSs) formed by intermolecular hydrogen bonds, such as carboxylic R22(8) and C11(4) and alcoholic C11(2) ones, are among the most popular. The subject of this publication is the identification of specific synthons in alpha-hydroxycarboxylic acids (AHAs) crystals, in which carboxyl and alcohol fragments are present simultaneously. A series of 11 single-enantiomeric and racemic crystals of substitute… Show more

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Cited by 4 publications
(2 citation statements)
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“…Therefore, MD simulations were performed, and the construction of the nanocomposite models is shown in Figure 1 a. MD simulation can calculate the number and type of hydrogen bonds. In nanocomposites, the carboxyl group on XNBR is a good hydrogen bond donor/acceptor so it can form an intramolecular hydrogen bond [ 12 ]. There are three types of hydrogen bonds in ANF/XNBR composites ( Figure S1 ).…”
Section: Resultsmentioning
confidence: 99%
“…Therefore, MD simulations were performed, and the construction of the nanocomposite models is shown in Figure 1 a. MD simulation can calculate the number and type of hydrogen bonds. In nanocomposites, the carboxyl group on XNBR is a good hydrogen bond donor/acceptor so it can form an intramolecular hydrogen bond [ 12 ]. There are three types of hydrogen bonds in ANF/XNBR composites ( Figure S1 ).…”
Section: Resultsmentioning
confidence: 99%
“…This involves comparing compounds within a kindred or homologous series of chiral substances. [29][30][31][32][33][34][35] Comparison of the energy characteristics of crystal phases with the features of their crystal structures, as determined by X-ray diffraction, can also provide valuable information for this assessment.…”
Section: Introductionmentioning
confidence: 99%