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Title2-[4-(2-{5-tert-Butyl-2-chloro-3-[2-(3-pentyl-1,3-benzothiazol-2-ylidene) ethylidene]cyclohex-1-enyl}ethenyl)-3-cyano-5,5-dimethylfuran-2-ylidene] malononitrile
Publication TypeJournal Article
Year of Publication2013
AuthorsGainsford, G.J., Ashraf M., and Kay A.J.
JournalActa Crystallographica Section E: Structure Reports Online
Paginationo120 - o121
Date Published2013
ISSN16005368 (ISSN)
AbstractIn the title molecule, C36H39ClN4OS, the non-aromatic part of the cyclohex-1-enyl ring and the attached tert-butyl group are disordered over two conformations with occupancy ratios of 0.52(3):0.48(3) and 0.53(3):0.47(3), respectively. The polyene chain single- and double-bond dimensions contrast with a closely related compound [Bouit et al. (2007). Chem. Mater. 19, 5325-5335] with an approximate 19° twist between donor and acceptor ends of the molecule, related to the additional intramolecular C - H⋯S interaction. In the title compound, the molecules pack into dimeric units about centres of symmetry utilizing weak C - H⋯N(cyano) and C - H⋯O attractive interactions, building both chain and ring motifs about the centres [R 2 2(8) and R 2 2(9)]. Adjacent dimeric sets then form a herringbone configuration.

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