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 …

A practical guide to the design of molecular crystals

MK Corpinot, DK Bucar - Crystal Growth & Design, 2018 - ACS Publications
This Tutorial Review, aimed at both the novice and the seasoned solid-state chemist,
provides a succinct overview of key findings that have, over the last half century, advanced …

In-silico methods of cocrystal screening: A review on tools for rational design of pharmaceutical cocrystals

A Kumar, A Nanda - Journal of Drug Delivery Science and Technology, 2021 - Elsevier
Pharmaceutical cocrystals represent a distinctive class of crystal engineered
multicomponent systems consisting an API and a crystal former non-covalently linked …

Is zeroth order crystal structure prediction (CSP_0) coming to maturity? What should we aim for in an ideal crystal structure prediction code?

SL Price - Faraday discussions, 2018 - pubs.rsc.org
Crystal structure prediction based on searching for the global minimum in the lattice energy
(CSP_0) is growing in use for guiding the discovery of new materials, for example, new …

SpeedMixing: Rapid tribochemical synthesis and discovery of pharmaceutical cocrystals without milling or grinding media

Y Teoh, G Ayoub, I Huskić, HM Titi… - Angewandte Chemie …, 2022 - Wiley Online Library
We present SpeedMixing, a rapid blending technology, as an approach for fast
mechanosynthesis and discovery of model pharmaceutical cocrystals through rapid …

Seeking rules governing mixed molecular crystallization

NM Villeneuve, J Dickman, T Maris, GM Day… - Crystal Growth & …, 2022 - ACS Publications
Mixed crystals result when components of the structure are randomly replaced by analogues
in ratios that can be varied continuously over certain ranges. Mixed crystals are useful …

Orientational Disorder in Crystalline Disubstituted Benzenes and Its Implications for Sublimation and Polymorphism

C Červinka, V Štejfa, V Pokorný… - Crystal Growth & …, 2023 - ACS Publications
Derivatives of benzene with multiple similar substituents possess a large potential to exhibit
static disorder of their crystalline phases. Since multiple orientations of these molecules in …

Modulating thermal properties of polymers through crystal engineering

LS Germann, E Carlino, A Taurino… - Angewandte …, 2023 - Wiley Online Library
Crystal engineering has exclusively focused on the development of advanced materials
based on small organic molecules. We now demonstrate how the cocrystallization of a …

Applicability of phenolic acids as effective enhancers of cocrystal solubility of methylxanthines

M Przybyłek, D Ziółkowska, K Mroczyńska… - Crystal Growth & …, 2017 - ACS Publications
Applicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives
was analyzed both in terms of cocrystallization probabilities and solubility advantage. The …

Phosphangulene: a molecule for all chemists

A Heskia, T Maris, JD Wuest - Accounts of Chemical Research, 2020 - ACS Publications
Conspectus Phosphangulene (1) is a hexacyclic triarylphosphine with a distinctive conical
shape and other features that allow the compound to be viewed from diverse perspectives …