
Probing Hydrogen-Bond Anharmonicity in Cocrystals with Colossal Thermal ...
Dec 17, 2025 · A variable-temperature single-crystal X-ray diffraction study revealed an unusual thermal expansion property of a bis (imidazolium) terephthalate salt with a helical hydrogen …
Probing Hydrogen-Bond Anharmonicity in Cocrystals with Colossal Thermal ...
In this work, we employed variable-temperature single-crystal synchrotron diffraction to investigate the linear expansion coefficients of two organic cocrystals, 1 and 2, which exhibit colossal …
Martin Dračínský - IOCB Prague
A combination of solid-state NMR spectroscopy, X-ray diffraction, and diffuse reflectance measurements with density functional theory calculations that include nuclear quantum effects …
The interplay between hydrogen bonds and stacking/T-type …
With this, we attempt to answer the question, “Are hydrogen bonds the most important interaction in molecular cocrystals?” by quantitatively analysing the contributions of all interactions to the …
The interplay between hydrogen bonds and stacking/T-type
Dec 2, 2024 · Combining interaction strength and frequency, both hydrogen bond and stacking/T-type interactions contribute equally to the stabilisation of cocrystal lattices.
Interaction dependent anisotropic thermal expansion of a hydrogen …
Nov 15, 2020 · Ubbelohde concluded shorter hydrogen bonds exhibited expansion with increasing temperature while longer hydrogen bonds and hydroxyl bonds exhibited contraction.
The Role of Hydrogen Bonding in Co-crystals | Co-crystals: …
Jul 13, 2018 · Various aspects of hydrogen bonded co-crystals such as polymorphism, co-crystal hydrates or solvates, inclusion compounds and synthesis of higher order co-crystals are …
Evaluating hydrogen-bond propensity, hydrogen-bond …
Nov 21, 2019 · In those cases, where the crystal structure of a co-crystal of either Nevirapine or Diclofenac was known, we also examined how well the three methods predicted which primary …
Experimental and Theoretical Investigation of Hydrogen-Bonding ...
Feb 28, 2023 · Sulfaguanidine (SGD), one of the most frequently used sulfonamide compounds, was chosen as a model compound in this work to further investigate the hydrogen bond …
Hydrogen bond strength for riparins (I-III) cocrystals with …
Dec 3, 2025 · In this study, the screening of cocrystals of APIs riparin (I-III) has been performed with the six coformers that contain a carboxylic group, such as maleic acid, malonic acid, …