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2-Isopropyl-6-methyl-pyrimidin-4(3H)-one.

ABSTRACT: The mol-ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl-pyrimidin-4-ol (the enol-form) undergoes an enol-to-keto tautomerism during the crystallization process. The pyrimidin-4(3H)-one group is essentially planar, with a maximum deviation of 0.081?(1)?Å for the O atom. In the crystal structure, symmetry-related mol-ecules are linked into centrosymmetic dimers via pairs of inter-molecular N-H?O hydrogen bonds, generating R(2) (2)(8) rings. These dimers are stacked along the a axis.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3008064 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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2-Isopropyl-6-methyl-pyrimidin-4(3H)-one.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9

The mol-ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl-pyrimidin-4-ol (the enol-form) undergoes an enol-to-keto tautomerism during the crystallization process. The pyrimidin-4(3H)-one group is essentially planar, with a maximum deviation of 0.081 (1) Å for the O atom. In the crystal structure, symmetry-related mol-ecules are linked into centrosymmetic dimers via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(8) rings. These dimers ...[more]

PMID: 21588778

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