Disappearing polymorphs revisited

DK Bučar, RW Lancaster… - Angewandte Chemie …, 2015 - Wiley Online Library
Nearly twenty years ago, Dunitz and Bernstein described a selection of intriguing cases of
polymorphs that disappear. The inability to obtain a crystal form that has previously been …

Contemporary advances in the use of powder X‐ray diffraction for structure determination

KDM Harris, M Tremayne… - Angewandte Chemie …, 2001 - Wiley Online Library
Many crystalline solids cannot be prepared in the form of single crystals of sufficient size
and/or quality for investigation using single‐crystal X‐ray diffraction techniques, and the …

[图书][B] Polymorphism in molecular crystals 2e

J Bernstein - 2020 - books.google.com
Most people are familiar with the fact that diamond and graphite are both composed only of
carbon; yet they have very different properties which result from the very different structures …

[图书][B] Structure determination from powder diffraction data

WIF David, K Shankland, LB McCusker, C Baerlocher - 2006 - books.google.com
The art of solving a structure from powder diffraction data has developed rapidly over the last
ten years to the point where numerous crystal structures, both organic and inorganic, have …

Machine learning accelerates quantum mechanics predictions of molecular crystals

Y Han, I Ali, Z Wang, J Cai, S Wu, J Tang, L Zhang… - Physics Reports, 2021 - Elsevier
Quantum mechanics (QM) approaches (DFT, MP2, CCSD (T), etc.) play an important role in
calculating molecules and crystals with a high accuracy and acceptable efficiency. In recent …

How to determine structures when single crystals cannot be grown: opportunities for structure determination of molecular materials using powder diffraction data

KDM Harris, EY Cheung - Chemical Society Reviews, 2004 - pubs.rsc.org
Many crystalline solids cannot be prepared as single crystals of sufficient size and/or quality
for structure determination to be carried out using single crystal X-ray diffraction techniques …

Characterization of temperature-induced phase transitions in five polymorphic forms of sulfathiazole by terahertz pulsed spectroscopy and differential scanning …

JA Zeitler, DA Newnham, PF Taday, TL Threlfall… - Journal of …, 2006 - Elsevier
The far-infrared properties of all five known polymorphic forms of the drug sulfathiazole have
been studied by terahertz pulsed spectroscopy and low-frequency Raman spectroscopy …

Quantitative analysis of sulfathiazole polymorphs in ternary mixtures by attenuated total reflectance infrared, near-infrared and Raman spectroscopy

Y Hu, A Erxleben, AG Ryder, P McArdle - Journal of pharmaceutical and …, 2010 - Elsevier
The simultaneous quantitative analysis of sulfathiazole polymorphs (forms I, III and V) in
ternary mixtures by attenuated total reflectance-infrared (ATR-IR), near-infrared (NIR) and …

Structure determination from powder diffraction

VV Chernyshev - Russian chemical bulletin, 2001 - Springer
The review surveys modern methods for the determination of unknown crystal structures of
organic and inorganic compounds from powder diffraction data. The main stages of this …

Polymorph screening: comparing a semi-automated approach with a high throughput method

AJ Alvarez, A Singh, AS Myerson - Crystal Growth and Design, 2009 - ACS Publications
Polymorph screening studies of sulfathiazole, mefenamic acid, flufenamic acid, and ROY
were carried out using a semi-automated apparatus. Cooling crystallization and slurry aging …