2-Isopropyl-6-methyl­pyrimidin-4(3H)-one

The mol­ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl­pyrimidin-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 fo...

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Detalles Bibliográficos
Autores principales: Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008064/
https://www.ncbi.nlm.nih.gov/pubmed/21588778
http://dx.doi.org/10.1107/S1600536810034276
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author Hemamalini, Madhukar
Fun, Hoong-Kun
author_facet Hemamalini, Madhukar
Fun, Hoong-Kun
author_sort Hemamalini, Madhukar
collection PubMed
description The mol­ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl­pyrimidin-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 mol­ecules are linked into centrosymmetic dimers via pairs of inter­molecular N—H⋯O hydrogen bonds, generating R (2) (2)(8) rings. These dimers are stacked along the a axis.
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spelling pubmed-30080642010-12-30 2-Isopropyl-6-methyl­pyrimidin-4(3H)-one Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl­pyrimidin-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 mol­ecules are linked into centrosymmetic dimers via pairs of inter­molecular N—H⋯O hydrogen bonds, generating R (2) (2)(8) rings. These dimers are stacked along the a axis. International Union of Crystallography 2010-08-28 /pmc/articles/PMC3008064/ /pubmed/21588778 http://dx.doi.org/10.1107/S1600536810034276 Text en © Hemamalini and Fun 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Hemamalini, Madhukar
Fun, Hoong-Kun
2-Isopropyl-6-methyl­pyrimidin-4(3H)-one
title 2-Isopropyl-6-methyl­pyrimidin-4(3H)-one
title_full 2-Isopropyl-6-methyl­pyrimidin-4(3H)-one
title_fullStr 2-Isopropyl-6-methyl­pyrimidin-4(3H)-one
title_full_unstemmed 2-Isopropyl-6-methyl­pyrimidin-4(3H)-one
title_short 2-Isopropyl-6-methyl­pyrimidin-4(3H)-one
title_sort 2-isopropyl-6-methyl­pyrimidin-4(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008064/
https://www.ncbi.nlm.nih.gov/pubmed/21588778
http://dx.doi.org/10.1107/S1600536810034276
work_keys_str_mv AT hemamalinimadhukar 2isopropyl6methylpyrimidin43hone
AT funhoongkun 2isopropyl6methylpyrimidin43hone

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