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Synthesis,Crystal Structure and Spectroscopic Properties of Novel 5-o-[1-(3-Ethoxymethyl-4-phenyl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyrimidin-2-one)butoxy]phenyl-10,15,20-triphenyl Zinc Porphyrin

Synthesis,Crystal Structure and Spectroscopic Properties of Novel 5-o-[1-(3-Ethoxymethyl-4-phenyl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyrimidin-2-one)butoxy]phenyl-10,15,20-triphenyl Zinc Porphyrin
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摘要 A novel compound 5-o-[1-(3-ethoxymethyl-4-phenyl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyrimidin-2-one)butoxy]phenyl-10,15,20-triphenyl zinc porphyrin(C_(65)H_(56)N_6O_5Zn) was synthesized and characterized by NMR,FT-IR and MS. The compound crystallizes out from chloroform and methanol mixture solution,and its crystal structure was measured by single-crystal X-ray diffraction,monoclinic system,space group P2_1/c with a = 17.2741(6),b = 16.3797(6),c = 41.0919(16) A,b = 93.810(3)°,V = 11601.0(7) A^3,Z = 4,S = 1.021,F(000) = 5000,R = 0.0749 and wR = 0.1771. Additionally,it has been revealed by X-ray analysis that Zn of porphyrin is coordinated with carbonyl O of dihydropyrimidinone,thus the porphyrin and pyrimidinone rings are distorted by the Zn–O coordination bond. A novel compound 5-o-[1-(3-ethoxymethyl-4-phenyl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyrimidin-2-one)butoxy]phenyl-10,15,20-triphenyl zinc porphyrin(C_(65)H_(56)N_6O_5Zn) was synthesized and characterized by NMR,FT-IR and MS. The compound crystallizes out from chloroform and methanol mixture solution,and its crystal structure was measured by single-crystal X-ray diffraction,monoclinic system,space group P2_1/c with a = 17.2741(6),b = 16.3797(6),c = 41.0919(16) A,b = 93.810(3)°,V = 11601.0(7) A^3,Z = 4,S = 1.021,F(000) = 5000,R = 0.0749 and wR = 0.1771. Additionally,it has been revealed by X-ray analysis that Zn of porphyrin is coordinated with carbonyl O of dihydropyrimidinone,thus the porphyrin and pyrimidinone rings are distorted by the Zn–O coordination bond.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第3期438-446,共9页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China(Nos.20942008,21172065) the Scientific Research Fund of Hunan Provincial Education Department(No.11K024)
关键词 porphyrin dihydropyrimidione synthesis crystal structure porphyrin dihydropyrimidione synthesis crystal structure
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