Complex transitions between dihydrate and anhydrate forms of ectoine – unexpected behavior of a highly hygroscopic compatible solute in the solid state. Issue 2 (4th December 2019)

• Record Type: Journal Article
• Authors: Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter
• Is Part Of: CrystEngComm. Volume 22:Issue 2(2020)
• Page Start: 169
• Page End: 172
• Publication Date: 2019-12-04
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c9ce01599j
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : Crystallizing the compatible solute ectoine from water yields a metastable dihydrate that readily degrades to a highly hygroscopic anhydrate at ambient conditions; this strange behavior is examined and a rationale is presented. Abstract : The crystalline dihydrate of the compatible solute ectoine undergoes a loss of water at ambient conditions and transforms into a highly hygroscopic anhydrate form. This unexpected transition is studied combining single-crystal and powder X-ray, single crystal neutron diffraction measurements and quantum mechanical calculations. Overall, our study provides a rationale for the important uptake and loss of water by ectoine in the solid state.