Low-melting molecular complexes: Part VII. 2,3-, 2,5- and 3,4-hexanediones and their molecular complexes with chloroform

Yufit, D.S.; Fox, M.A.

doi:10.1007/s11224-015-0620-x

Low-melting molecular complexes: Part VII. 2,3-, 2,5- and 3,4-hexanediones and their molecular complexes with chloroform

Yufit, D.S.; Fox, M.A.

Authors

Dr Dmitry Yufit d.s.yufit@durham.ac.uk
Academic Visitor

Dr Mark Fox m.a.fox@durham.ac.uk
Assistant Professor

Abstract

Crystals of three isomeric 2,3-, 2,5- and 3,4-hexanediones 1–3 and of molecular complexes (1:2) of 2 and 3 with chloroform (4 and 5) were grown by in situ cryocrystallisation and characterised by single-crystal X-ray crystallography. The intermolecular interactions and packing motifs were examined using the analysis of pairwise energies of intermolecular interactions. The method has revealed the importance of carbonyl…carbonyl interactions in the structures 1, 3 and 4 and the relatively weaker halogen bonds in the structures 4 and 5.

Citation

Yufit, D., & Fox, M. (2016). Low-melting molecular complexes: Part VII. 2,3-, 2,5- and 3,4-hexanediones and their molecular complexes with chloroform. Structural Chemistry, 27(1), 9-15. https://doi.org/10.1007/s11224-015-0620-x

Journal Article Type	Article
Acceptance Date	Jun 22, 2015
Online Publication Date	Jul 16, 2015
Publication Date	Feb 1, 2016
Deposit Date	Dec 8, 2015
Publicly Available Date	Jul 16, 2016
Journal	Structural Chemistry
Print ISSN	1040-0400
Electronic ISSN	1572-9001
Publisher	Springer
Peer Reviewed	Peer Reviewed
Volume	27
Issue	1
Pages	9-15
DOI	https://doi.org/10.1007/s11224-015-0620-x
Keywords	Pairwise energy calculations, Co-crystals, Crystal structure, Hexanedione, Intermolecular interactions.