Krevlin Zoe A, Bote Isabella C, Crespo Maria Christina F, Lam Christie C, McMillen Colin D, Majireck Max M
Chemistry Department, Hamilton College, 198 College Hill Rd., Clinton, NY 13323, USA.
Department of Chemistry, Clemson University, H.L. Hunter Laboratories, Clemson, SC 29634, USA.
Acta Crystallogr E Crystallogr Commun. 2023 Jul 7;79(Pt 8):698-701. doi: 10.1107/S2056989023005741. eCollection 2023 Jul 1.
The novel bench-stable -quaternized ketene ,-acetal, CHNO·CFOS, was synthesized and its structure determined. The title compound is a rare example of a pyridinium ketene hemiaminal for which a crystal structure has been determined, joining the 2-chloro-1-(1-ethyoxyethen-yl)pyridin-1-ium tri-fluoro-methane-sulfonate salt from which it was synthesized. The cationic species of the title compound can be defined by three individually planar fragments assembling into a non-coplanar cation. The phenyl substituent extending from the amino nitro-gen atom and the ethyoxyvinyl substituent extending from the pyridine N atom are oriented on the same side of the mol-ecule and maintain the closest coplanar relationship of the three fragments. Supra-molecular inter-actions are dominated by C-H⋯O inter-actions from the cation to the SO side of the tri-fluoro-methane-sulfonate anion, forming a two-dimensional substructure.
合成了新型易于保存的季铵化乙烯酮缩醛CHNO·CFOS，并确定了其结构。标题化合物是已确定晶体结构的吡啶鎓乙烯酮半缩醛的罕见实例，它与合成它的2-氯-1-(1-乙氧基乙烯基)吡啶-1-鎓三氟甲磺酸盐一起。标题化合物的阳离子物种可由三个单独的平面片段组装成一个非共平面阳离子来定义。从氨基氮原子延伸的苯基取代基和从吡啶N原子延伸的乙氧基乙烯基取代基位于分子的同一侧，并保持三个片段最接近的共平面关系。超分子相互作用主要由阳离子与三氟甲磺酸盐阴离子的SO侧之间的C-H⋯O相互作用主导，形成二维子结构。
