Repository logo
 

On the predictability of supramolecular interactions in molecular cocrystals-the view from the bench

Published version
Peer-reviewed

Change log

Authors

Corpinot, MK 
Stratford, SA 
Arhangelskis, Mihails  ORCID logo  https://orcid.org/0000-0003-1150-3108
Anka-Lufford, J 
Halasz, I 

Abstract

A series of cocrystals involving theophylline and fluorobenzoic acids highlights the difficulty of predicting supramolecular interactions in molecular crystals.

Description

Keywords

3402 Inorganic Chemistry, 34 Chemical Sciences

Journal Title

CrystEngComm

Conference Name

Journal ISSN

1466-8033
1466-8033

Volume Title

18

Publisher

Royal Society of Chemistry (RSC)
Sponsorship
EPSRC (1127438)
Isaac Newton Trust (1238(j))
The Royal Society (nf100747)
MKC and DKB gratefully acknowledge financial support from the UCL Faculty of Mathematical and Physical Sciences. DKB and WJ thank the Royal Society for a Newton International Fellowship and the Isaac Newton Trust (Trinity College, University of Cambridge) for funding. MA thanks the EPSRC for a studentship, while SAS acknowledges funding through the EPSRC CASE scheme with Pfizer. We are grateful for computational support from the UK national high performance computing service, ARCHER, for which access was obtained via the UKCP consortium and funded by EPSRC grant (EP/K013564/1).