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2-[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
In the title molecule, C(36)H(39)ClN(4)OS, 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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588378/ https://www.ncbi.nlm.nih.gov/pubmed/23476383 http://dx.doi.org/10.1107/S1600536812050842 |
Sumario: | In the title molecule, C(36)H(39)ClN(4)OS, 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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