Synthesis and Crystal Structure of 7-Amino-2,3,4,5-tetrahydro-1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile DMF Solvate

作     者：梁静 张梅梅 王香善 

作者机构：School of Chemical Engineering China University of Mining and Technology Department of ChemistryXuzhou Normal University 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2008年第27卷第3期

页      面：301-305页

核心收录：

学科分类：07[理学] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：the Foundation of the Youth (OH060099) of China University of Mining and Technology the Foundation of Natural Science Foundation (06AXL010) of Xuzhou Normal University Natural Science Foundation (04KJB150139) of Education Committee of Jiangsu Province 

主　　题：crystal structure pyrano[2 3-d] pyrimidine synthesis 

摘      要：The title compound 7-amino-2,3,4,5-tetrahydro-1,3-dimethyl-5-（2-nitrophenyl）- 2,4- dioxo-1H-pyrano[2,3-d] pyrirnidine-6-carbonitrile DMF solvate 1 （C19H20N6O6, Mr = 428.41） was synthesized and crystallized. The crystal belongs to the monoclinic system, space group P2 1/c with a = 11.383（2）, b = 13.372（2）, c = 13.673（2）A, β = 97.380（4）°, Z = 4, V = 2063.8（6）A^3, Dc = 1.379 g/cm^3,μ（MoKα） = 0.105 mm^-1, F（000） = 896, the final R = 0.0738 and wR = 0.1647 for 2964 observed reflections （I〉 2σ（I））. X-ray analysis reveals that the new pyran ring is coplanar, which is obviously different from those of other similar compounds. In addition, the unclassical hydrogen bonds of C-H…O and C-H…N are presented in the crystals except for the normal hydrogen bonds of N-H…O.