Results 31 to 40 of about 894 (176)

Exploiting Supramolecular Synthons in Cocrystals of Two Racetams with 4-Hydroxybenzoic Acid and 4-Hydroxybenzamide Coformers

Chemistry, 2023
Structures of three cocrystals of nootropic racetams were studied. They included two cocrystals of phenylpiracetam (PPA) with 4-hydroxybenzoic acid (HBA) with different stoichiometries, PPA·HBA and PPA·2HBA, and cocrystal of 2-(4-phenyl-2-oxopyrrolidin-1-
Jason Marquez, Egor Novikov, Sergei Rigin, Marina S. Fonari, Raúl Castañeda, Tatiana Kornilova, Tatiana V. Timofeeva   +6 more
doaj   +1 more source

Integrating and Exploiting Molecular, Supramolecular, and Time Crystal Synthons in Advanced Synthesis

Crystals
Molecular reactions occur through functional groups that drive covalent synthesis. These reactions often proceed via catalytic processes, leading to the formation of time crystals, which can be integrated into shared molecules or reactions—a concept ...
Indrajit Chakraborty, Tusar Kanti Dutta, Sudipta Ray, Deepak Kumar, Pathik Sahoo   +4 more
doaj   +1 more source

5-Hydroxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate

Acta Crystallographica Section E, 2010
In the title compound, C17H14O3·H2O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3 (2)° with the phenyl ring.
Laura Torre-Fernández, Marcos G. Suero, Santiago García-Granda   +2 more
doaj   +1 more source

New Titanium Imido Synthons:  Syntheses and Supramolecular Structures

Inorganic Chemistry, 2005
Reactions of Ti(NMe(2))(2)Cl(2) with a wide range of primary alkyl and arylamines RNH(2) afforded the corresponding 5-coordinate imido titanium compounds Ti(NR)Cl(2)(NHMe(2))(2) (R = (t)Bu (1), (i)Pr (2), CH(2)Ph (3), Ph (4), 2,6-C(6)H(3)Me(2) (5), 2,6-C(6)H(3)(i)Pr(2) (6), 2,4,6-C(6)H(2)F(3) (7), 2,3,5,6-C(6)HF(4) (8), C(6)F(5) (9), 4-C(6)H(4)Cl (10),
Adams, Nico, Bigmore, Helen R., Blundell, Timothy L., Boyd, Catherine L., Dubberley, Stuart R., Sealey, Andrew J., Cowley, Andrew R., Skinner, Michael E. G., Mountford, Philip   +8 more
openaire   +3 more sources

Supramolecular Synthons in Protein–Ligand Frameworks

Crystal Growth & Design
Supramolecular synthons, defined as reproducible intermolecular structural units, have greatly aided small molecule crystal engineering. In this paper, we propose that supramolecular synthons guide ligand-mediated protein crystallization. The protein RSL and the macrocycle sulfonato-calix[8]arene cocrystallize in at least four ways.
Ronan J. Flood, Niamh M. Mockler, Aurélien Thureau, Maura Malinska, Peter B. Crowley   +4 more
openaire   +2 more sources

Supramolecular Synthons: Will Giant Rigid Superspheres Do? [PDF]

Crystal Growth & Design, 2016
For the first time, the concept of supramolecular synthons was applied to giant rigid superspheres based on pentaphosphaferrocene [CpRFe(η5-P5)] (R = Me, Et) and Cu(I) halides, which reach 2.1-3.0 nm in diameter. Two supramolecular synthons, σ-π and π-π, are discovered based on halogen···CpR and Cp*···Cp* specific interactions, respectively.
Eugenia Peresypkina, Alexander Virovets, Manfred Scheer   +2 more
openaire   +2 more sources

Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid

Beilstein Journal of Organic Chemistry, 2010
In order to have access to chiral gels, a series of salts derived from (1R,3S)-(+)-camphoric acid and various secondary amines were prepared based on supramolecular synthon rationale.
Tapas Kumar Adalder, N. N. Adarsh, Ravish Sankolli, Parthasarathi Dastidar   +3 more
doaj   +1 more source

Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol

IUCrJ, 2021
A synthetic strategy for the formation of stoichiometric quaternary and nonstoichiometric quinary solids is outlined. A series of 2-nitroresorcinol-based quaternary cocrystals were developed from binary precursors in two conceptual stages.
Madhu Rajkumar, Gautam R. Desiraju
doaj   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Prediction of supramolecular synthons and crystal packings of supramolecular HMX/solvent assemblies

RSC Advances, 2017
We report the most stable packings of five HMX/solvent supramolecular assemblies.
Zhichao Liu, Yu Liu, Jinshan Li, Weihua Zhu   +3 more
openaire   +2 more sources