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X-ray Diffraction Investigation of Ethyl 2-(2-Amino-3-ethoxycarbonyl-4H-benzo[f]chromene-4-yl) Cyanoacetate

X-ray Diffraction Investigation of Ethyl 2-(2-Amino-3-ethoxycarbonyl-4H-benzo[f]chromene-4-yl) Cyanoacetate
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摘要 The title compound,ethyl 2-(2-amino-3-ethoxycarbonyl-4H-benzo[f]chromene-4-yl) cyanoacetate 4,has been synthesized and its crystal structure was characterized by X-ray single-crystal diffraction.The crystal belongs to monoclinic,space group P21/n with a=12.9408(18),b=11.1870(13),c=13.8975(19),β=109.261(2)°,Z=4,C21H20N2O5,Mr=380.39,V=1899.3(4)3,Dc=1.330 g/cm3,μ=0.096 mm-1,F(000)=800,S=1.027,R=0.0535 and wR=0.1012 for 1365 observed reflections(I 2σ(I)).X-ray analysis reveals N–H…π interactions,π…π interactions and hydrogen bonds in the title molecule. The title compound,ethyl 2-(2-amino-3-ethoxycarbonyl-4H-benzo[f]chromene-4-yl) cyanoacetate 4,has been synthesized and its crystal structure was characterized by X-ray single-crystal diffraction.The crystal belongs to monoclinic,space group P21/n with a=12.9408(18),b=11.1870(13),c=13.8975(19),β=109.261(2)°,Z=4,C21H20N2O5,Mr=380.39,V=1899.3(4)3,Dc=1.330 g/cm3,μ=0.096 mm-1,F(000)=800,S=1.027,R=0.0535 and wR=0.1012 for 1365 observed reflections(I 2σ(I)).X-ray analysis reveals N–H…π interactions,π…π interactions and hydrogen bonds in the title molecule.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第3期432-436,共5页 结构化学(英文)
关键词 N–H…π interactions 4H-chromene crystal structure synthesis N–H…π interactions 4H-chromene crystal structure synthesis
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