Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder X-ray diffraction data

Eugene Y. Cheung, Sarah E. David, Kenneth D.M. Harris, Barbara R. Conway, Peter Timmins

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

We report the formation and structural properties of co-crystals containing gemfibrozil and hydroxy derivatives of t-butylamine H2NC(CH3)3-n(CH2OH)n, with n=0, 1, 2 and 3. In each case, a 1:1 co-crystal is formed, with transfer of a proton from the carboxylic acid group of gemfibrozil to the amino group of the t-butylamine derivative. All of the co-crystal materials prepared are polycrystalline powders, and do not contain single crystals of suitable size and/or quality for single crystal X-ray diffraction studies. Structure determination of these materials has been carried out directly from powder X-ray diffraction data, using the direct-space Genetic Algorithm technique for structure solution followed by Rietveld refinement. The structural chemistry of this series of co-crystal materials reveals well-defined structural trends within the first three members of the family (n=0, 1, 2), but significantly contrasting structural properties for the member with n=3.

LanguageEnglish
Pages1068-1075
Number of pages8
JournalJournal of Solid State Chemistry
Volume180
Issue number3
Early online date14 Jan 2007
DOIs
Publication statusPublished - 1 Mar 2007
Externally publishedYes

Fingerprint

Butylamines
Gemfibrozil
X ray powder diffraction
Structural properties
Hydrogen
Derivatives
Crystals
hydrogen
diffraction
crystals
x rays
Single crystals
Rietveld refinement
single crystals
Carboxylic Acids
Carboxylic acids
carboxylic acids
genetic algorithms
Powders
Protons

Cite this

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title = "Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder X-ray diffraction data",
abstract = "We report the formation and structural properties of co-crystals containing gemfibrozil and hydroxy derivatives of t-butylamine H2NC(CH3)3-n(CH2OH)n, with n=0, 1, 2 and 3. In each case, a 1:1 co-crystal is formed, with transfer of a proton from the carboxylic acid group of gemfibrozil to the amino group of the t-butylamine derivative. All of the co-crystal materials prepared are polycrystalline powders, and do not contain single crystals of suitable size and/or quality for single crystal X-ray diffraction studies. Structure determination of these materials has been carried out directly from powder X-ray diffraction data, using the direct-space Genetic Algorithm technique for structure solution followed by Rietveld refinement. The structural chemistry of this series of co-crystal materials reveals well-defined structural trends within the first three members of the family (n=0, 1, 2), but significantly contrasting structural properties for the member with n=3.",
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Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder X-ray diffraction data. / Cheung, Eugene Y.; David, Sarah E.; Harris, Kenneth D.M.; Conway, Barbara R.; Timmins, Peter.

In: Journal of Solid State Chemistry, Vol. 180, No. 3, 01.03.2007, p. 1068-1075.

Research output: Contribution to journalArticle

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