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

Zhang L, Li J, Shi D, Chen J - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: Its structure has been redetermined at 113 K with greater precision for all data.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.

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Affiliation: School of Chemical Engineering and the Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.

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.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I), with the atom-labelling scheme. Displacement elipsoids are drawn at the 50% probability level. H atoms are represented as small spheres of arbitrary radii.
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Fap1: The molecular structure of (I), with the atom-labelling scheme. Displacement elipsoids are drawn at the 50% probability level. H atoms are represented as small spheres of arbitrary radii.


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

Zhang L, Li J, Shi D, Chen J - Acta Crystallogr Sect E Struct Rep Online (2008)

The molecular structure of (I), with the atom-labelling scheme. Displacement elipsoids are drawn at the 50% probability level. H atoms are represented as small spheres of arbitrary radii.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2960329&req=5

Fap1: The molecular structure of (I), with the atom-labelling scheme. Displacement elipsoids are drawn at the 50% probability level. H atoms are represented as small spheres of arbitrary radii.
Bottom Line: Its structure has been redetermined at 113 K with greater precision for all data.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.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical Engineering and the Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.

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.

No MeSH data available.


Related in: MedlinePlus