Redetermination at 113 K of 2,2-tetramethylene-1,2-dihydroquinazolin-4(3H)-one
نویسندگان
چکیده
The title compound {systematic name: spiro-[cyclo-pentane-1,2'(1'H)-quinazolin]-4'(3'H)-one]}, C(12)H(14)N(2)O, has been reported previously [Klemm, Weakley, Gilbertson & Song (1998 ▶). J. Heterocycl Chem. 35, 1269-1273]. Its structure has been redetermined at 113 K with greater precision for all data. The mol-ecule is built up from two fused six-membered rings and one five-membered ring linked through a spiro C atom. The pyrimidine ring has an envelope conformation and the cyclopentane ring adopts a distorted boat form. There are inter-molecular N-H⋯O hydrogen bonds, which form a two-dimensional sheet parallel to the (001) plane.
منابع مشابه
2-Methyl-2-phenyl-1,2-dihydroquinazolin-4(3H)-one
In the mol-ecule of the title compound, C(15)H(14)N(2)O, the six-membered 1,3-diaza ring assumes an envelope conformation. The two benzene ring planes are almost perpendicular to each other, making a dihedral angle of 85.53 (5)°. Supra-molecular aggregation is mainly effected by N-H⋯O hydrogen bonding.
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In the racemic title compound, C(14)H(11)N(3)O(3), the pyrimidine ring has an envelope conformation with the puckering parameters Q = 0.3338 (17) Å, Θ = 60.1 (3) and ϕ = 290.4 (3)°. The two N-H groups form hydrogen bonds with symmetry-related mol-ecules, building a two-dimensional network parallel to the (10) plane.
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