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

Crystal Structure and Properties of the Calix[4]arene Derivative Containing Ethyl 2-Diazo-3-(ethylamino)-3-oxopropanoate Moieties
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 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
关键词 arene derivative thermal properties fluorescence spectra crystal structure calix[4]arene derivative, thermal properties, fluorescence spectra, crystal structure
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