Synthesis and Crystal Structure of 2,2-Pentamethylene-1,2,3,4-tetrahydroquinazolin-4-one  

作　　者：SHIDa-Qing RONGLiang-Ce WANGJu-Xian ZHUANGQi-Ya WANGXiang-Shan HUHong-Wen 

机构地区：[1]DepartmentofChemistry,XuzhouNormalUniversityXuzhou221009,ChinaDepartmentofChemistry,NanjingUniversity,Nanjing210093,ChinaKeyLaboratoryofBiotechnologyonMedicalPlane,Xuzhou,Jiangsu221009,China [2]DepartmentofChemistry,XuzhouNormalUniversityXuzhou221009,ChinaKeyLaboratoryofBiotechnologyonMedicalPlane,Xuzhou,Jiangsu221009,China [3]DepartmentofChemistry,NanjingUniversity,Nanjing210093,China

出　　处：《Chinese Journal of Structural Chemistry》2004年第1期7-10,共4页结构化学（英文）

基　　金：This work was supported by'Surpassing Project'(No. QL98001) and the Education Committee Natural Science Foundation (No. 00KJB150008) of Jiangsu province

摘　　要：The title compound 2,2-pentamethylene-1,2,3,4-tetrahydroquinazolin-4-one is of monoclinic, space group P21/n with a = 10.387(1), b = 10.954(2), c = 10.827(2) ? b = 110.77(1), C13H16N2O, Mr = 216.28, Z = 4, V = 1151.8(4) 3, Dc = 1.247 g/cm3, m(MoKa) = 0.080 mm-1, F(000) = 464, R = 0.0499 and wR = 0.1217 for 1575 observed reflections (I > 2s(I)). X-ray analysis reveals that the pyrimidine and cyclohexane rings adopt half-chair and chair configurations, respectively. In addition, there exists an intermolecular hydrogen bond (N(1)H(1)…O) in the product molecule.

关 键 词：crystal structure tetrahydroquinazoline-4-one low-valent titanium 

分 类 号：O626.41[理学—有机化学]