Structure of 5-azauracil (C3H3N3O2) and its hydrolysis product |
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| Authors: | Mazhar-Ul-Haque Jamil Ahmed James Peeling William Horne |
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| Institution: | (1) Present address: Department of Chemistry, Quaid-I-Azam University, Islamabad, Pakistan;(2) Present address: University of Winnipeg, Winnipeg, Manitoba, Canada;(3) Department of Chemistry, King Fahd University of Petroleum and Minerals, 31261 Dhahran, Saudi Arabia |
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| Abstract: | The title compounds cocrystallize in space groupP¯1:a=8.773(3),b=9.14(3),c=14.062(4) Å,  =81.38(7),  =71.76(3),  =82.96(8)°,U=1055.5 Å3,Z=4 (two independent molecules each of azauracil, its hydrolysis product, and water in the asymmetric unit). The structure was solved by direct methods and refined by full-matrix least-squares methods toR=0.059 for 2911 observed reflections. Unusually, the crystal contains both the parent molecule and its hydrolysis product in a hydrogen-bonded complex. The hydrogen bonding results in the formation of essentially planar layers of molecules which are held together by dispersion forces. |
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