Results 21 to 30 of about 3,703 (215)

Supramolecular Organization in Salts of Riluzole with Dihydroxybenzoic Acids—The Key Role of the Mutual Arrangement of OH Groups

Pharmaceutics, 2023
Intermolecular interactions, in particular hydrogen bonds, play a key role in crystal engineering. The ability to form hydrogen bonds of various types and strengths causes competition between supramolecular synthons in pharmaceutical multicomponent ...
Alexander P. Voronin, Artem O. Surov, Andrei V. Churakov, Mikhail V. Vener   +3 more
doaj   +1 more source

Fine tuning of crystal architecture by intermolecular interactions: synthon engineering [PDF]

, 2014
There has been a long time effort to influence or favourably fine tune structural properties by introduction of substituents or guest molecules of different sizes, shapes and chemical composition to consequently alter physico-chemical properties of the
Alajos Kálmán, Allen, Conrad Fischer, Desiraju, Desiraju, Edwin Weber, Fischer, Fischer, Fischer, Fischer, Fábián, Gelbrich, Gruber, Gruber, Gruber, Gruber, Gruber, Gruner, Kitaigorodskii, Kálmán, Kálmán, Kálmán, Kálmán, Kálmán, Lehn, Macrae, Petra Bombicz, Tobias Gruber   +27 more
core   +1 more source

1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon

Physical Chemistry Chemical Physics, 2016
The 1,1,2,2-tetracyanocyclopropane (TCCP) unit presents a synthetically accessible and versatile synthon that can interact with lone-pair or π-electrons by ‘non-covalent Carbon bonding’.
Antonio Bauzá, Antonio Frontera, Tiddo J. Mooibroek   +2 more
openaire   +3 more sources

Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea

Acta Crystallographica Section E: Crystallographic Communications, 2022
The title compound, C18H14N2O3S, crystallizes in the orthorhombic crystal system and Pbca space group. The thiourea chromophore is planar to an r.m.s deviation of 0.032 Å with the thiolate sulfur atom being the most deviated.
Kenechukwu J. Ifeanyieze, Bikimi B. Ayiya, Obinna C. Okpareke, Tatiana V. Groutso, Jonnie N. Asegbeloyin   +4 more
doaj   +1 more source

Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules. [PDF]

, 2018
Pharmaceutical salt solvates (dimethyl sulfoxide, DMSO) of the drug triamterene with the coformers acetic, succinic, adipic, pimelic, azelaic and nicotinic acid and ibuprofen are prepared by liquid-assisted grinding and solvent-evaporative ...
Delori, Amit, Hughes, David S, Jones, William, Rehman, Abida   +3 more
core   +2 more sources

Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine

IUCrJ, 2019
The disposition of functional groups can induce variations in the nature and type of interactions and hence affect the molecular recognition and self-assembly mechanism in cocrystals. To better understand the formation of cocrystals on a molecular level,
Na Wang, Xin Huang, Lihang Chen, Jinyue Yang, Xin Li, Jiayuan Ma, Ying Bao, Fei Li, Qiuxiang Yin, Hongxun Hao   +9 more
doaj   +1 more source

Design of co-crystals/salts of some Nitrogenous bases and some derivatives of thiophene carboxylic acids through a combination of hydrogen and halogen bonds [PDF]

, 2014
BACKGROUND: The utility of N-heterocyclic bases to obtain molecular complexes with carboxylic acids is well studied. Depending on the solid state interaction between the N-heterocyclic base and a carboxylic acid a variety of neutral or ionic synthons are
Packianathan Muthiah, Samson Jennifer
core   +1 more source

Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids

IUCrJ, 2015
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.
Ritesh Dubey, Gautam R. Desiraju
doaj   +1 more source

Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)

IUCrJ, 2016
A synthetic strategy is outlined whereby a binary cocrystal may be developed in turn into a ternary and finally into a quaternary cocrystal. The strategy hinges on the concept of the long-range synthon Aufbau module (LSAM) which is a large supramolecular
Ritesh Dubey, Niyaz A. Mir, Gautam R. Desiraju   +2 more
doaj   +1 more source

Fluxional Halogen Bonds Versus Interlayer Stacking - Theory Meets Experiment. [PDF]

Chemistry
Joint high‐resolution X‐ray diffraction and density functional theory investigations reveal the existence of fluxional halogen bonds in the cocrystal of 1,4‐diiodobenzene and 1,4‐dinitrobenzene. At 130 K this solid undergoes a reversible crystal‐to‐crystal phase transition from the high‐temperature 1α phase with a symmetric bifurcated halogen bond to a
Gao CY, Schmidt A, Wang R, Strohmann C, Englert U, Li SD.   +5 more
europepmc   +2 more sources