结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2004年
7期
773-777
,共5页
冯友健%蒋虹%高原%屠树江%史达清
馮友健%蔣虹%高原%屠樹江%史達清
풍우건%장홍%고원%도수강%사체청
microwave irradiation%benzopyran%coumarin%aldehyde%ether cyanoacetate crystal structure
The title compound 2-amino-3-ethoxycarbonyl-4-(4-chlorophenyl)-4H,5H-pyrano-[3,2-c]-benzopyran-5-one (C21H16ClNO5,Mr = 397.80) has been synthesized and characterized by X-ray crystallography.It crystallizes in triclinic,space group P1 with a = 5.756(1),b = 10.099(1),c = 17.106(3)(A),α = 80.49(1),β = 83.13(1),γ = 80.07(1)o,V = 961.8(2)(A)3,Dc = 1.374 g/cm3,μ = 0.231 mm-1,Z = 2,F(000) = 412,the final R = 0.0369 and wR = 0.0947.In the molecule the pyran ring is of boat conformation.The intermolecular hydrogen bonds of N-H…O(5)(-x+2,-y+1,-z+1) and N-H…Cl (x+1,y-1,z) as well as intramolecular hydrogen bond N-H…O(5) are found.
