Which, if any, hydrates will crystallise? Predicting hydrate formation of two dihydroxybenzoic acids
Open Access
- 8 April 2011
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- Vol. 47 (19), 5443-5445
- https://doi.org/10.1039/c1cc10762c
Abstract
A study of two dihydroxybenzoic acid isomers shows that computational methods can predict which hydrates are formed and provide information that helps in characterising hydrate forms.Keywords
This publication has 23 references indexed in Scilit:
- Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?Crystal Growth & Design, 2010
- Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure PredictionJournal of Chemical Theory and Computation, 2009
- Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind testActa crystallographica Section B, Structural science, crystal engineering and materials, 2009
- Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and PolymorphismAccounts of Chemical Research, 2008
- Diversity in Single- and Multiple-Component Crystals. The Search for and Prevalence of Polymorphs and CocrystalsCrystal Growth & Design, 2007
- The computational prediction of pharmaceutical crystal structures and polymorphismAdvanced Drug Delivery Reviews, 2004
- Extended motifs from water and chemical functional groups in organic molecular crystalsCrystEngComm, 2003
- Is the incorporation of analytes into matrix crystals a prerequisite for matrix-assisted laser desorption/ionization mass spectrometry? A study of five positional isomers of dihydroxybenzoic acidInternational Journal of Mass Spectrometry, 1999
- Pharmaceutical hydratesThermochimica Acta, 1995
- Analysis of organic polymorphs. A reviewThe Analyst, 1995