Crystal Structure and Properties of the Calix[4]arene Derivative Containing Ethyl 2-Diazo-3-(ethylamino)-3-oxopropanoate Moieties  

作　　者：赵禹 罗再刚 许峰 方玉玉 胡劲松 徐雪梅 

机构地区：[1]College of Chemical Engineering, Anhui University of Science & Technology

出　　处：《Chinese Journal of Structural Chemistry》2015年第4期523-528,共6页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21102003);Scientific Research Foundation for the Introduction of Talent of Anhui University of Science & Technology

摘　　要：The target compound （C58H74N6010） has been structurally determined by single- crystal X-ray diffraction. The crystal is in the monoclinic system, space group C2/c, with a = 22.08（3）, b = 12.628（19）, c- 21.73（3）A, β= 106.78（3）°, C58H74N6010, Mr= 1015.23, Dc = 1.16239 g/cm^3, V = 5801（14） A3, Z = 4, F（000） = 2176, μ（MoKa） = 0.080 mm^-1, T = 293（2） K, 5107 independent reflections with 3125 observed ones （1〉 20（I））, R = 0.0768 and wR = 0.2305 with GOF = 1.025 （R = 0.1129 and wR = 0.2674 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O and N-H…O hydrogen bonds. The thermal analysis showed that the decomposition mechanism of compound 3 is complex. Fluorescence spectra of 3 exhibited an emission band at 423 nm when excited with 360 nm radiation at room temperature in DMF.The target compound （C58H74N6010） has been structurally determined by single- crystal X-ray diffraction. The crystal is in the monoclinic system, space group C2/c, with a = 22.08（3）, b = 12.628（19）, c- 21.73（3）A, β= 106.78（3）°, C58H74N6010, Mr= 1015.23, Dc = 1.16239 g/cm^3, V = 5801（14） A3, Z = 4, F（000） = 2176, μ（MoKa） = 0.080 mm^-1, T = 293（2） K, 5107 independent reflections with 3125 observed ones （1〉 20（I））, R = 0.0768 and wR = 0.2305 with GOF = 1.025 （R = 0.1129 and wR = 0.2674 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O and N-H…O hydrogen bonds. The thermal analysis showed that the decomposition mechanism of compound 3 is complex. Fluorescence spectra of 3 exhibited an emission band at 423 nm when excited with 360 nm radiation at room temperature in DMF.

关 键 词：arene derivative thermal properties fluorescence spectra crystal structure 

分 类 号：O621.13[理学—有机化学]