Structural organization in the trimethylamine iodine monochloride complex

Marshall, William G.; Jones, Richard H.; Knight, Kevin S.; Clews, John; Darton, Richard J.; Miller, William; Coles, Simon J.; Pitak, Mateusz B.

Abstract

The structure of the complex formed between trimethylamine and iodine monochloride had been redetermined by a combination of neutron powder diffraction and X-ray single crystal diffraction techniques. The structure determined using NPD shows that the geometry of the trimethylamine moiety resembles that in trimethylammonium cations rather than in the free trimethylamine molecule. The structure shows the presence of weak C–D⋯Cl hydrogen bonds, The I–Cl bond length is in agreement with that derived from an analysis of the pKb values of a series of nitrogen bases and previously determined structures containing N⋯ICl fragments.

• Journal Article Type: Article
• Acceptance Date: Jun 26, 2017
• Online Publication Date: Jun 28, 2017
• Deposit Date: Jun 16, 2023
• Journal: CrystEngComm
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 19
• Issue: 35
• Pages: 5194-5201
• DOI: https://doi.org/10.1039/c7ce00869d
• Keywords: Condensed Matter Physics; General Materials Science; General Chemistry
• Additional Information: : This document is Similarity Check deposited; : Crystal Structure Data; : Richard H. Jones (ORCID); : Richard J. Darton (ORCID); : Richard J. Darton (ResearcherID); : Simon J. Coles (ORCID); : Simon J. Coles (ResearcherID); : Mateusz B. Pitak (ResearcherID); : The Royal Society of Chemistry has an exclusive publication licence for this journal; OPEN ACCESS: This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0); : Single-blind; : Received 8 May 2017; Accepted 26 June 2017; Accepted Manuscript published 28 June 2017; Advance Article published 6 July 2017; Version of Record published 11 September 2017