（1S，2R，6R，7R，8S，12S）-4,10,17-三苯基-15-硫杂-4,10-二氮杂五环[5.5.5.0(1,16).0(2,6).0(8,12)]十七碳-13,16-二烯-3,5,9,11-四酮对二甲苯半溶剂化物的晶体结构
Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diaza-penta-cyclo[5.5.5.0(1,16).0(2,6).0(8,12)]hepta-deca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate.
作者信息
Noland Wayland E, Kroll Neil J, Huisenga Matthew P, Yue Ruixian A, Lang Simon B, Klein Nathan D, Tritch Kenneth J
机构信息
Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 21;70(Pt 12):550-4. doi: 10.1107/S1600536814025094. eCollection 2014 Dec 1.
The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels-Alder reaction of 2-(α-styr-yl)thio-phene with N-phenyl-male-imide (2 equivalents) in toluene. Recrystallization of the resulting powder from p-xylene gave the title hemisolvate; the p-xylene mol-ecule is located about an inversion center. In the crystal, the primary tetrone contacts are between a carbonyl O atom and the four flagpole H atoms of the bi-cyclo-[2.2.2]octene core, forming chains along [001].
标题化合物C32H22N2O4S·0.5C8H10是2-(α-苯乙烯基)噻吩与N-苯基马来酰亚胺（2当量）在甲苯中尝试进行狄尔斯-阿尔德反应的主要产物（产率50%）。从对二甲苯中重结晶得到的粉末得到标题半溶剂化物；对二甲苯分子位于一个反演中心周围。在晶体中，主要的四酮接触是在一个羰基O原子与双环-[2.2.2]辛烯核心的四个旗杆H原子之间，沿[001]形成链。
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