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Synthesis and Crystal Structure of 8-(2,3-Dimethoxyphenyl)-10,11,12,13-tetrahydro-9H-benzo[f]cyclohepta[c]quinoline

Synthesis and Crystal Structure of 8-(2,3-Dimethoxyphenyl)-10,11,12,13-tetrahydro-9H-benzo[f]cyclohepta[c]quinoline
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摘要 The title compound 8-(2,3-dimethoxyphenyl)-10,11,12,13-tetrahydro-9H-benzo[f]- cyclohepta[c]quinoline (C26H25NO2, Mr = 383.47) was synthesized and characterized by IR, 1H NMR, 13C NMR and elemental analysis. The crystal belongs to triclinic, space group PI with a = 8.1490(16), b = 9.2550(19), c = 14.373(3) A, α = 86.96(3),β= 89.66(3), γ= 70.32(3)°, Z = 2, V= 1019.2(4) A3, Dc = 1.250 g.cm^-3,μ(MoKα) = 0.078 mm^-1, F(000) = 408, the final R = 0.0555 and wR = 0.1240 for 2228 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the seven-numbered ring is slightly similar to a six-numbered ring, forming the chairlike conformation. The four rings (Ⅰ, Ⅱ, Ⅲ and Ⅳ) in the benzo[f]cyclohepta[c]quinoline moiety form a screw structure. The title compound 8-(2,3-dimethoxyphenyl)-10,11,12,13-tetrahydro-9H-benzo[f]- cyclohepta[c]quinoline (C26H25NO2, Mr = 383.47) was synthesized and characterized by IR, 1H NMR, 13C NMR and elemental analysis. The crystal belongs to triclinic, space group PI with a = 8.1490(16), b = 9.2550(19), c = 14.373(3) A, α = 86.96(3),β= 89.66(3), γ= 70.32(3)°, Z = 2, V= 1019.2(4) A3, Dc = 1.250 g.cm^-3,μ(MoKα) = 0.078 mm^-1, F(000) = 408, the final R = 0.0555 and wR = 0.1240 for 2228 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the seven-numbered ring is slightly similar to a six-numbered ring, forming the chairlike conformation. The four rings (Ⅰ, Ⅱ, Ⅲ and Ⅳ) in the benzo[f]cyclohepta[c]quinoline moiety form a screw structure.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第9期1121-1125,共5页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China (20802061) Natural Science Foundation of the Education Committee of Jiangsu Province (08KJD150019) Qing Lan Project (08QLT001) of the Education Committee of Jiangsu Province
关键词 crystal structure benzo[f]cyclohepta[c]quinoline NMR crystal structure, benzo[f]cyclohepta[c]quinoline, NMR
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