Results 11 to 20 of about 894 (176)

Crystals at a Carrefour on the Way through the Phase Space: A Middle Path

open access: yesMolecules, 2021
Multiple supramolecular functionalities of cyclic α-alkoxy tellurium-trihalides (including Te---O, Te---X (X = Br, I) and Te---π(C=C) supramolecular synthons) afford rich crystal packing possibilities, which consequently results in polymorphism or Z’ > 1
Yury V. Torubaev, Ivan V. Skabitsky
doaj   +1 more source

Cocrystal of 4-Nitrophenol and 2,1,3-Benzoselenadizole

open access: yesMolbank, 2023
The 1:1 cocrystal of 4-nitrophenol (NP) and 2,1,3-benzoselenadiazole (BSA) was successfully synthesized. The X-ray single-crystal diffraction analysis revealed that the structure contained a [Se–N]2 cyclic supramolecular synthon.
Honghong Lan, Shaobin Miao, Weizhou Wang
doaj   +1 more source

Long-Range Supramolecular Synthon Isomerism: Insight from a Case Study of Vinylic Tellurium Trihalides Cl(Ph)C=C(Ph)TeX3 (X = Cl, I)

open access: yesChemistry, 2022
A slight modification of the synthetic procedure resulted in a new (Cc) polymorph of vinylic tellurium-trichloride Z-Cl(Ph)C=C(Ph)TeCl3 (1, β-form) which is stabilized by Te⋯Cl chalcogen bonds, assembling its molecules into the zigzag chains.
Yury V. Torubaev, Aida S. Samigullina
doaj   +1 more source

Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals

open access: yesIUCrJ, 2015
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.
Geetha Bolla   +2 more
doaj   +1 more source

Supramolecular synthons and crystal structure prediction of organic compounds [PDF]

open access: yesActa Crystallographica Section A Foundations of Crystallography, 2004
The strategy taking into account regularities of crystal structure formation and results of theoretical crystal structure prediction has been proposed as a tool for crystal engineering. The role of the symmetry of the supramolecular associates (synthons) in the symmetry of the crystal structure is suggested.
Detlef W. M. Hofmann   +2 more
openaire   +1 more source

Crystal landscape in the orcinol:4,4′-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters

open access: yesIUCrJ, 2014
Polymorphism in the orcinol:4,4′-bipyridine cocrystal system is analyzed in terms of a robust convergent modular phenol...pyridine supramolecular synthon.
Ritesh Dubey   +3 more
doaj   +1 more source

Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2021
The structure of the title salt, ammonium carbamoylcyanonitrosomethanide, NH4+·C3H2N3O2−, features the co-existence of different hydrogen-bonding patterns, which are specific to each of the three functional groups (nitroso, carbamoyl and cyano) of the ...
Kostiantyn V. Domasevitch   +3 more
doaj   +1 more source

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

open access: yesPharmaceutics, 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   +3 more
doaj   +1 more source

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

open access: yesPhysical 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   +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

open access: yesActa 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   +4 more
doaj   +1 more source

Home - About - Disclaimer - Privacy