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(...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.展开更多
基金This work was supported by'Surpassing Project'(No. QL98001) and the Education Committee Natural Science Foundation (No. 00KJB150008) of Jiangsu province
文摘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.
