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作 者:LUO Zai-Gang LIU Qian-Nan LI Rui XU Xue-Mei 罗再刚;刘倩男;李蕊;徐雪梅(College of Chemical Engineering,Anhui University of Science and Technology,Huainan 232001,China)
机构地区:[1]College of Chemical Engineering,Anhui University of Science and Technology,Huainan 232001,China
出 处:《Chinese Journal of Structural Chemistry》2020年第5期908-912,共5页结构化学(英文)
基 金:supported by the Natural Science Research Projects in Colleges and Universities of Anhui Province(No.KJ2019A0116);Natural Science Foundation of Anhui Province(No.1608085MB38)。
摘 要:The target compound(C18H14O4)was synthesized and structurally determined by single-crystal X-ray diffraction.The crystal is of monoclinic system,space group P21/n with a=7.9383(6),b=19.5083(13),c=9.4189(7)?,β=98.981(2)°,C18H14O4,Mr=294.29,Dc=1.357 g/cm^3,V=1440.75(18)?3,Z=4,F(000)=616,μ(MoKa)=0.096 mm-1,T=293(2)K,3320 independent reflections with 1845 observed ones(I>2σ(I)),R=0.0529 and wR=0.1082 with GOF=1.015(R=0.1202 and wR=0.1278 for all data).The phenanthrene skeleton is coplanar.The overall crystal packing revealed that it has reverse staggered parallel and stratified arrangement.And a one-dimensional interaction model was formed by two kinds ofπ-πinteractions between the two adjacent molecules at upper and lower levels.The decomposition mechanism of compound 3 is complex.
关 键 词:PHENANTHRENE SYNTHESIS crystal structure thermal property
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