A million crystal structures: The whole is greater than the sum of its parts
R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
The experimental and theoretical landscape of a new antiplatelet drug ticagrelor: Insight into supramolecular architecture directed by CH⋯ F, π⋯ π and CH⋯ π …
The crystal and molecular structure landscape of a new drug ticagrelor has been
investigated by using experimental and theoretical approach. The structures of this …
investigated by using experimental and theoretical approach. The structures of this …
Solving the enigma of weak fluorine contacts in the solid state: A periodic DFT study of fluorinated organic crystals
The nature and strength of weak interactions with organic fluorine in the solid state are
revealed by periodic density functional theory (periodic DFT) calculations coupled with …
revealed by periodic density functional theory (periodic DFT) calculations coupled with …
Further evidence on the importance of fluorous–fluorous interactions in supramolecular chemistry: A combined structural and computational study
The solid-state structures of CF3 (CF2) 5CH2CO2H and a fluorous triazole are reported,
both of which display a wide variety and large number of noncovalent interactions in their …
both of which display a wide variety and large number of noncovalent interactions in their …
Experimental and computational analysis of supramolecular motifs involving C sp2 (aromatic)–F and CF 3 groups in organic solids
A detailed experimental (SCXRD) and theoretical (PIXEL and QTAIM) investigation of the
evolution of different supramolecular motifs formed via the presence of both C (sp2)/(sp3)–F …
evolution of different supramolecular motifs formed via the presence of both C (sp2)/(sp3)–F …
Quantitative Characterization of Fluorine‐Centered Noncovalent Interactions in Crystalline Benzanilides
Six isomeric molecules, featuring a minimum of three fluorine atoms on either the benzoyl or
aniline side, have been synthesized, crystallized and characterized through single crystal X …
aniline side, have been synthesized, crystallized and characterized through single crystal X …
Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals
Q Liu, W Kosaka, H Miyasaka - Chemical Science, 2024 - pubs.rsc.org
Molecule-based hybrid layered magnets provide an ideal platform for investigating the long-
range spin-ordering process in low-dimensional magnetic systems. Within this context, a …
range spin-ordering process in low-dimensional magnetic systems. Within this context, a …
Perfluoroalkylation of square-planar transition metal complexes: A strategy to assemble them into solid state materials with a π–π stacked lamellar structure
MO BaniKhaled, JD Becker, M Koppang… - Crystal Growth & …, 2016 - ACS Publications
Formation of π–π stacked lamellar structure is important for high performance organic
semiconductor materials. We previously demonstrated that perfluoroalkylation of aromatics …
semiconductor materials. We previously demonstrated that perfluoroalkylation of aromatics …
Evolution in the Understanding of Noncovalent Interactions Involving Fluorine: From Inception to Maturity to Properties
MR Sarkar, D Chopra - Crystal Growth & Design, 2024 - ACS Publications
Noncovalent interactions play a pivotal role in chemistry, offering versatile tools for
manipulating and enhancing various material properties. Among these interactions, the …
manipulating and enhancing various material properties. Among these interactions, the …
A comparison of non-covalent interactions in the crystal structures of two σ-alkane complexes of Rh exhibiting contrasting stabilities in the solid state
Non-covalent interactions surrounding the cationic Rh σ-alkane complexes within the crystal
structures of [(Cy2PCH2CH2PCy2) Rh (NBA)][BArF4],[1-NBA][BArF4](NBA= norbornane …
structures of [(Cy2PCH2CH2PCy2) Rh (NBA)][BArF4],[1-NBA][BArF4](NBA= norbornane …