Zhao Ling-Ling, Teng Da
School of Chemistry and Chemical Engineering, Xuzhou Normal University, Xuzhou 221116, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 16;64(Pt 9):o1772-3. doi: 10.1107/S1600536808025695.
The title compound, C(29)H(29)ClFNO(2), was synthesized by the reaction of 4-fluoro-benzaldehyde, 5,5-dimethyl-cyclo-hexane-1,3-dione and 3-(4-chloro-phenyl-amino)-5,5-dimethyl-cyclo-hex-2-enone in an ionic liquid (1-butyl-3-methyl-imidazolium bromide). X-ray analysis reveals that the 1,4-dihydro-pyridine ring adopts a boat conformation, while each of the attached partially saturated six-membered rings adopts a half-chair conformation. The structure is stabilized by weak C-H⋯O and C-H⋯F hydrogen bonds. The mol-ecule has approximate mirror symmetry; the largest deviation from this symmetry concerns the fluoro- and chloro-phenyl rings.
标题化合物C(29)H(29)ClFNO(2)是通过4-氟苯甲醛、5,5-二甲基环己烷-1,3-二酮和3-(4-氯苯基氨基)-5,5-二甲基环己-2-烯酮在离子液体（1-丁基-3-甲基咪唑溴盐）中反应合成的。X射线分析表明，1,4-二氢吡啶环呈船式构象，而每个相连的部分饱和六元环呈半椅式构象。该结构通过弱C-H⋯O和C-H⋯F氢键得以稳定。分子具有近似镜像对称性；与这种对称性的最大偏差涉及氟苯基和氯苯基环。
