Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers
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چکیده
منابع مشابه
Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals
The design of novel supramolecular synthons for functional groups relevant to drugs is an essential prerequisite for applying crystal engineering in the development of novel pharmaceutical cocrystals. It has been convincingly shown over the past decade that molecular level control and modulation can influence the physicochemical properties of drug cocrystals. Whereas considerable advances have ...
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The crystallization of 28 binary and ternary cocrystals of quercetin with dibasic coformers is analyzed in terms of a combinatorial selection from a solution of preferred molecular conformations and supramolecular synthons. The crystal structures are characterized by distinctive O-H⋯N and O-H⋯O based synthons and are classified as nonporous, porous and helical. Variability in molecular conforma...
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4 2 containing FeSO and Na EDTA. EDTA could be replaced by citric acid. In this in vitro system 4hydroxybenzoic acid is hydroxylated to 3,4-dihydroxybenzoic acid (protocatechuic acid) and decarboxylated to hydroquinone. In an analogous reaction 2-hydroxybenzoic acid (salicylic acid) is hydroxylated to 2,3-dihydroxybenzoic acid and 2,5-dihydroxybenzoic acid (gentisic acid) and decarboxylated to ...
متن کاملEnergetics of hydroxybenzoic acids and of the corresponding carboxyphenoxyl radicals. Intramolecular hydrogen bonding in 2-hydroxybenzoic acid.
The energetics of the phenolic O-H bond in the three hydroxybenzoic acid isomers and of the intramolecular hydrogen O-H- - -O-C bond in 2-hydroxybenzoic acid, 2-OHBA, were investigated by using a combination of experimental and theoretical methods. The standard molar enthalpies of formation of monoclinic 3- and 4-hydroxybenzoic acids, at 298.15 K, were determined as Delta(f)(3-OHBA, cr) = -593....
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ژورنال
عنوان ژورنال: CrystEngComm
سال: 2019
ISSN: 1466-8033
DOI: 10.1039/c9ce01195a