Structure of a Self-Assembled Chain of Water Molecules in a Crystal Host


  • The authors thank the Department of Science and Technology (DST) and the Council of Scientific and Industrial Research (CSIR) for financial support. The authors acknowledge the National Single Crystal Diffractometer Facility at the School of Chemistry, University of Hyderabad for the crystal structure analysis. We also thank Drs S. Pal and S.K. Das for useful discussion.


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The role of hydrogen bonding in water is important in determining the structure, stability, and function of biological assemblies. The supramolecular structure of 1,4,7,10-tetraazacyclododecane, a molecule that has secondary N[BOND]H bonds similar to those found in biological systems, contains an infinite chain of tetrameric water clusters (depicted, oxygen: red; hydrogen: white). This motif, until now, has not even been speculated upon.