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Structural modification of functionalized carbazoles: from Z′ = 1 to Z′ = 6

Lookup NU author(s): Matokah Abualnaja, Professor Mike ProbertORCiD, Dr Michael HallORCiD, Dr Paul Waddell

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This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

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 2,3,9,9atetrahydro-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.

Publication metadata

Author(s): Abualnaja M, Probert MR, Hall MJ, Brock CP, Waddell PG

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section B

Year: 2026

Volume: 82

Issue: 3

Print publication date: 01/06/2026

Online publication date: 19/05/2026

Acceptance date: 28/04/2026

Date deposited: 27/05/2026

ISSN (print): 2052-5192

ISSN (electronic): 2052-5206

Publisher: Wiley-Blackwell

URL: https://doi.org/10.1107/S2052520626004506

DOI: 10.1107/S2052520626004506

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