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Lookup NU author(s): Dr Paul Waddell, Jenny Wallis, Annabelle Mattern, Dr Lee HighamORCiD
This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).
© The Author(s) 2024. New polymorphs of (2-(chloro(pyrrol-2-ylidene)methyl)pyrrole)-difluoro-borane (1) and (2-(chloro(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)pyrrole)-4-ethyl-3,5-dimethyl-1H-pyrrolato)-difluoro-borane (2) were identified using single crystal X-ray diffraction. The new polymorph of 1 crystallises in the triclinic, P-1 space group with an asymmetric unit comprising two crystallographically-independent molecules (Z′ = 2). The differences between this structure and that of the known polymorph of 1 are attributed to the formation of two distinct dimer motifs in each polymorph and the packing between these dimer units. The new polymorph structure of 2, exhibits a similar asymmetric unit to the known form, comprising 3 molecules (Zʹ = 3). The two structures differ in the orientation of the molecules within the trimeric asymmetric unit and the manner in which these trimers pack along the crystallographic [010] direction. Graphical Abstract: The triclinic polymorph of 8-chloro BODIPY exhibits an asymmetric unit with two crystallographically-independent molecules. (Figure presented.)
Author(s): Waddell PG, Wallis JF, Mattern A, Higham LJ
Publication type: Article
Publication status: Published
Journal: Journal of Chemical Crystallography
Year: 2024
Volume: 54
Pages: 305–312
Online publication date: 21/07/2024
Acceptance date: 11/07/2024
Date deposited: 29/07/2024
ISSN (print): 1074-1542
ISSN (electronic): 1572-8854
Publisher: Springer Nature
URL: https://doi.org/10.1007/s10870-024-01022-5
DOI: 10.1007/s10870-024-01022-5
Data Access Statement: CCDC 2352478-9 contain the full crystallographic data for this article. These are available free of charge at www.ccdc.cam.ac.uk/data_request/cif, by emailing data_request@ccdc.cam.ac.uk or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK; fax: + 44 1223 336033.
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