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Redetermination at 113 K of 2,2-tetra-methyl-ene-1,2-dihydro-quinazolin-4(3H)-one.

ABSTRACT: 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.

SUBMITTER: Zhang L 

PROVIDER: S-EPMC2960329 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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Redetermination at 113 K of 2,2-tetra-methyl-ene-1,2-dihydro-quinazolin-4(3H)-one.

Zhang Lijun L   Li Jiarong J   Shi Daxin D   Chen Jinnan J  

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

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 ado  ...[more]

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