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 ...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.展开更多
A titanocene-ferrocenyl complex, （5-ferrocenyl-2-hydroxybenzenecarboxylato- O,O′）-bis（methylcyclopentadienyl）titanium（IV） 4, and an unexpected ionic complex, [C7H8NO3]- [（C5H5）Fe（C5H4）SO3]·H2O3 were sy...A titanocene-ferrocenyl complex, （5-ferrocenyl-2-hydroxybenzenecarboxylato- O,O′）-bis（methylcyclopentadienyl）titanium（IV） 4, and an unexpected ionic complex, [C7H8NO3]- [（C5H5）Fe（C5H4）SO3]·H2O3 were synthesized and characterized by IR, ^1H NMR and elemental analysis. Compound 3 is of triclinic, space group P1 with a = 5.954（2）, b = 13.208（5）, c = 13.252（5） A, α = 60.993（7）,β = 84.342（8）,γ = 86.933（8）°, Z = 2, V = 906.8（6）A^3, Dc = 1.601 g/cm^3, μ（MoKα） = 0.987 mm^-1, F（000） = 452, the final R = 0.0647 and wR = 0.1333 for 2311 observed reflections （I 〉 2σ（I））. Compound 4 belongs to the monoclinic system, space group P2 1/c with α = 14.3310（9）, b = 12.5065（8）, c = 12.9406（10） A, β = 95.101（4）°, Z = 4, V = 2310.2（3） A^3, Dc = 1.513 g/cm^3, μ（MoKα） = 1.004 mm^-1, F（000） = 1088, the final R = 0.0461 and wR = 0.1048 for 2112 observed reflections （1 〉 2σ（I））.展开更多
文摘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.
基金Supported by the National Natural Science Foundation of China (20771071)the Program for New Century Excellent Talents in University of China,and Natural Science Foundation of Shaanxi Province (2007B06)
文摘A titanocene-ferrocenyl complex, （5-ferrocenyl-2-hydroxybenzenecarboxylato- O,O′）-bis（methylcyclopentadienyl）titanium（IV） 4, and an unexpected ionic complex, [C7H8NO3]- [（C5H5）Fe（C5H4）SO3]·H2O3 were synthesized and characterized by IR, ^1H NMR and elemental analysis. Compound 3 is of triclinic, space group P1 with a = 5.954（2）, b = 13.208（5）, c = 13.252（5） A, α = 60.993（7）,β = 84.342（8）,γ = 86.933（8）°, Z = 2, V = 906.8（6）A^3, Dc = 1.601 g/cm^3, μ（MoKα） = 0.987 mm^-1, F（000） = 452, the final R = 0.0647 and wR = 0.1333 for 2311 observed reflections （I 〉 2σ（I））. Compound 4 belongs to the monoclinic system, space group P2 1/c with α = 14.3310（9）, b = 12.5065（8）, c = 12.9406（10） A, β = 95.101（4）°, Z = 4, V = 2310.2（3） A^3, Dc = 1.513 g/cm^3, μ（MoKα） = 1.004 mm^-1, F（000） = 1088, the final R = 0.0461 and wR = 0.1048 for 2112 observed reflections （1 〉 2σ（I））.
