Synthesis and Crystal Structure of 2,2- Pentamethylene-1,2,3,4-tetrahydroquinazolin-4-one |
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| Authors: | SHI Da-Qinga b c RONG Liang-Cea c WANG Ju-Xiana c ZHUANG Qi-Yaa c WANG Xiang-Shana c HU Hong-Wenb a |
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| Affiliation: | Department of Chemistry,Xuzhou Normal University,Xuzhou 221009,China;Department of Chemistry,Nanjing University,Nanjing 210093,China;Key Laboratory of Biotechnology on Medical Plane,Xuzhou,Jiangsu 221009,China;Department of Chemistry,Xuzhou Normal University,Xuzhou 221009,China;Key Laboratory of Biotechnology on Medical Plane,Xuzhou,Jiangsu 221009,China;Department of Chemistry,Nanjing University,Nanjing 210093,China |
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| Abstract: | 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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| Keywords: | crystal structure tetrahydroquinazoline-4-one low-valent titanium |
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