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.

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.
• Public URL: https://durham-repository.worktribe.com/output/1416970