Опубликована: Янв. 1, 2023
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Язык: Английский
Crystal Growth & Design, Год журнала: 2024, Номер 24(4), С. 1695 - 1704
Опубликована: Фев. 7, 2024
Structural variability in molecular solids is often attributed to the competition between chemical and geometrical factors. While structural single-component systems mostly manifests polymorphism, high Z′ forms, formation of pseudopolymorphs, cocrystals rarely explored. This work indicates that even cocrystal formed by rather simple-looking commercially available compounds may exhibit a rich landscape with diverse forms. The structures, while analyzed systematically, shed light on large synthon possibilities possible correlations closely related systems.
Язык: Английский
Процитировано
5
Journal of Molecular Structure, Год журнала: 2023, Номер 1297, С. 136952 - 136952
Опубликована: Окт. 28, 2023
Язык: Английский
Процитировано
10
Chemical Science, Год журнала: 2025, Номер unknown
Опубликована: Янв. 1, 2025
A high-throughput nanoscale co-crystallisation approach is presented, that combines automation and small scale to enable the exploration of conditions, resulting in 30 new binary, ternary quaternary co-crystals.
Язык: Английский
Процитировано
0
CrystEngComm, Год журнала: 2023, Номер 25(33), С. 4680 - 4689
Опубликована: Янв. 1, 2023
A new polymorph of parabanic acid-urea cocrystal (PA-UA Form II) has been discovered. An experimental and theoretical investigation is conducted to compare PA-UA II with I cocrystal.
Язык: Английский
Процитировано
8
Crystal Growth & Design, Год журнала: 2024, Номер 24(11), С. 4862 - 4873
Опубликована: Май 28, 2024
The first ternary cocrystals of carbamazepine (CBZ) were successfully identified through a large-scale screening. A design strategy involved the use an aliphatic dicarboxylic acid to link CBZ and third component into hydrogen-bonded trimeric unit. Out 10 acids tested, only malonic produced positive response in attempt obtain with benzamide picolinamide. crystal structures novel obtained by vapor diffusion crystallization determined single-crystal X-ray diffraction. Structural analysis revealed that are isostructural exhibit packing trimers ladder-like chains. relationship between binary was confirmed comparing structures. cocrystal solubility method applied estimate thermodynamic parameters formation. negative values Gibbs free energy, enthalpy, entropy indicate reaction formation is thermodynamically favored process driven enthalpy. Despite nature, physicochemical properties cocrystals, including melting point solubility, strongly influenced variable coformer.
Язык: Английский
Процитировано
2
Chemistry - An Asian Journal, Год журнала: 2023, Номер 18(6)
Опубликована: Янв. 23, 2023
Phenomena such as anticooperativity and competition among non-covalent bond donors acceptors are key considerations when exploring the polymorphic stoichiomorphic landscapes of binary higher-order cocrystalline architectures. We describe preparation four cocrystals 1,3,5-trifluoro-2,4,6-triiodobenzene with N-heterocyclic compounds, namely acridine, 3-aminopyridine, 4-methylaminopyridine, 1,2-di(4-pyridyl)ethane. The cocrystals, which characterized by single-crystal powder X-ray diffraction experiments, all show moderately strong directional iodine⋅⋅⋅nitrogen halogen bonds reduced distance parameters ranging from 0.79 to 0.92 carbon-iodine⋅⋅⋅nitrogen angles 165.4(3) 175.31(7)°. cocrystal comprising acridine provides a relatively rare example where three donor sites form acceptor molecules, overcoming an anticooperative effect. This effect manifests itself through lengthening non-halogen-bonded C-I bonds, weakening their potential bonds. is only observed once two have been formed 1,3,5-trifluoro-2,4,6-triiodobenzene; one does not appear be adequate. Among studied, between pyridyl nitrogen atoms amine suggests that former preferred acceptors. Analysis Hirshfeld fingerprint plots 13 C 19 F magic-angle spinning solid-state nuclear magnetic resonance (NMR) spectroscopy additional insights into prevalence various short contacts in crystal structures spectral response halogen-bond-induced cocrystallization.
Язык: Английский
Процитировано
5
CrystEngComm, Год журнала: 2024, Номер 26(40), С. 5699 - 5715
Опубликована: Янв. 1, 2024
Single-step and multi-step liquid-assisted grinding mechanochemical methods of molecular components to ternary quaternary cocrystals/salts are compared show speed scalability the single-step method.
Язык: Английский
Процитировано
1
Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140097 - 140097
Опубликована: Сен. 1, 2024
Язык: Английский
Процитировано
1
Опубликована: Янв. 1, 2024
Язык: Английский
Процитировано
0
Crystal Growth & Design, Год журнала: 2024, Номер 24(18), С. 7455 - 7465
Опубликована: Сен. 3, 2024
Ternary cocrystals are an interesting and important topic of multicomponent crystals in crystal engineering. Although some cases ternary strategies have been reported, the number remains limited, related principles not yet well developed. Herein, 4-chloro-3-sulfamoylbenzoic acid 2,4-dichloro-5-sulfamolybenzoic were selected as model materials, pyridine carboxamides (picolinamide, nicotinamide, isonicotinamide) lactams (2-hydroxy-3-methylpyridine, 2-pyridone, 2-hydroxy-6-methylpyridine) used coformers for synthesizing cocrystals. With help powder X-ray diffraction, thermal analysis, nuclear magnetic resonance spectra, four new found, single structures three them successfully analyzed. The functional group position is found to two effects on On one hand, it affects tendency generate binary products. other there a certain match between types coformers. Further theoretical calculations show that geometrical recognition among components more formation than lattice energy.
Язык: Английский
Процитировано
0