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

作者：Sun Shu Wen; Zhou Fu Lin; Dong Shun Fu; Bai Yu; Wang Gao Feng^*

来源：Chinese Journal of Structural Chemistry, 2010, 29(3): 432-436.

• N-H center dot center dot center dot pi interactions
• 4H-chromene
• crystal structure
• synthesis

The title compound, ethyl 2-(2-amino-3-ethoxycarbony1-4H-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 P2(1)/n with a = 12.9408(18), b = 11.1870(13), c = 13.8975(19) angstrom, beta = 109.261(2)degrees, Z = 4, C(21)H(20)N(2)O(5), M(r) = 380.39, V = 1899.3(4) angstrom(3), D(c) = 1.330 g/cm(3), mu = 0.096 mm(-1), F(000) = 800, S = 1.027, R = 0.0535 and wR = 0.1012 for 1365 observed reflections (I > 2 sigma(I)). X-ray analysis reveals N-H center dot center dot center dot pi interactions, pi center dot center dot center dot pi interactions and hydrogen bonds in the title molecule.

• 出版日期2010
• 单位吉林医药学院; 运城学院