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

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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)A, β= 110.77(1)°, C13H16N2O, Mr = 216.28, Z = 4, V = 1151.8(4) A3, Dc = 1.247 g/cm3, β(MoKα) = 0.080 mm-1, F(000) = 464, R = 0.0499 and wR = 0.1217 for 1575 observed reflections (I > 2σ(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.
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