Crystal Structure of 3-Allyl-5,5-Dimethylhydantoin

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In this paper single crystals of 3-allyl-5,5-dimethylhydantoin (ADMH) have successfully extracted through recrystallization from a mixture solvents of dichloromethane and petroleum ether. By using single-crystal X-ray diffraction technique, its crystal structure has been determined to belong to monoclinic system, with space group P2(1)/n, a=0.59953(12), b=0.9837(2), c=1.5290(3)nm, β=100.43(3)°, V=0.8869(3)nm3, Z=4, Dc=1.260g/cm3, F(000)=360, μ(MoKα)=0.092mm-1, Mr=168.20, R=0.0422 and wR=0.1085 for 1755 observed reflections (I>2σ(I)). Also, its chemical formula has been confirmed as C8H12N2O2. Results of crystal structures determination for the compound show that the bond of N(1)-C(2) has a double-bond characteristic and there are intermolecular hydrogen bonds. This crystal exists in the form of dimers, in which the two constituent ADMH molecules build into an H-bond-centered symmetric pattern.
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