Synthesis and Crystal Structure of (E)-Ethyl (9-bromo-5-oxo-4-phenyl-1,10b-dihydro-5H-pyrano3,4-cchromen-2-ylidene) Acetate  

作　　者：王颖 石德清 

机构地区：[1]Key Laboratory of Pesticide and Chemical Biology of Ministry of Education,College of Chemistry,Central China Normal University

出　　处：《Chinese Journal of Structural Chemistry》2013年第4期521-524,共4页结构化学（英文）

基　　金：Supported by NNSFC(No.20872046);the Fundamental Research Funds for the Central Universities(No.CCNU09A02013)

摘　　要：The crystal structure of the title compound （C22H17BrOs, Mr = 441.27） has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76（I）, b = 14.58（1）, c = 11.52（1）A, V= 1973.9A3, Z= 4, Dc = 1.485 g/cm3, F（000） = 896,μ（MoKa） = 2.113 mm-1, the final R = 0.0394 and wR = 0.0809 for 3918 observed reflections （1 〉 2o（/））. The single-crystal X-ray diffraction data indicate that the C=C bond is in an E-configuration. The intramolecular C（10）-H（10B）...O（4） and intermolecular C（17）-H（I 7）...0（4） hydrogen bonds contribute to the stability of the structure.The crystal structure of the title compound （C22H17BrOs, Mr = 441.27） has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76（I）, b = 14.58（1）, c = 11.52（1）A, V= 1973.9A3, Z= 4, Dc = 1.485 g/cm3, F（000） = 896,μ（MoKa） = 2.113 mm-1, the final R = 0.0394 and wR = 0.0809 for 3918 observed reflections （1 〉 2o（/））. The single-crystal X-ray diffraction data indicate that the C=C bond is in an E-configuration. The intramolecular C（10）-H（10B）...O（4） and intermolecular C（17）-H（I 7）...0（4） hydrogen bonds contribute to the stability of the structure.

关 键 词：crystal structure synthesis [4＋2] cyeloaddition dihydropyran-fused chromen-2-one 

分 类 号：O621.3[理学—有机化学]