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Updated: May 28, 2026

Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
Published on: June 23, 2023
Structural modification of functionalized carbazoles: from Z' = 1 to Z' = 6
Matokah Abualnaja1, Michael Richard Probert1, Michael John Hall1
1Chemistry, School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, United Kingdom.
Abstract:
Crystal structures with asymmetric units comprising large numbers of molecules (Z' > 4) remain rare. Their study provides a unique opportunity to further the understanding of the physical basis for crystal formation, supporting the advancement of crystal structure prediction, crystal engineering and the study of polymorphism. Here the crystal structures of a series of three related 2,3,9,9a-tetrahydro-1H-carbazoles are discussed, one of which exhibits an asymmetric unit comprising six crystallographically independent molecules (Z' = 6). Careful analysis of this structure reveals approximate Fdd2 symmetry and strong evidence for this being linked to a symmetry-reducing, low-temperature phase transition. Comparison of the structures reveals that the variation in Z' values is linked to conformational changes related to the lack of classical hydrogen bonding in the high-Z' structure.
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