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6-Methyl-sulfanyl-4H-pyrimido[1,6-a]pyrimidin-4-one.

Huang Q, Richardson PF, Rui E, Rheingold AL, Yanovsky A - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: Reaction of 2-(methyl-sulfan-yl)pyrimidin-4-amine with the 5-(methoxy-vinyl-idene) derivative of Meldrum's acid and subsequent heating of the product in Dowtherm fluid yielded the title compound, C(8)H(7)N(3)OS, which was proven to contain a bicyclic 4H-pyrimido[1,6-a]pyrimidine system.The bond-length distribution in the bicyclic core shows localization of the double bonds.The geometry of the intra-molecular S⋯O 1,5-contact [2.534 (2) Å] is consistent with the existence of an attractive inter-action.

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ABSTRACT
Reaction of 2-(methyl-sulfan-yl)pyrimidin-4-amine with the 5-(methoxy-vinyl-idene) derivative of Meldrum's acid and subsequent heating of the product in Dowtherm fluid yielded the title compound, C(8)H(7)N(3)OS, which was proven to contain a bicyclic 4H-pyrimido[1,6-a]pyrimidine system. All non-H atoms of the mol-ecule are coplanar within 0.15 Å. The bond-length distribution in the bicyclic core shows localization of the double bonds. The geometry of the intra-molecular S⋯O 1,5-contact [2.534 (2) Å] is consistent with the existence of an attractive inter-action.

No MeSH data available.


Molecular structure of the title compound, showing 50% probability displacement ellipsoids and atom numbering scheme. H atoms are drawn as circles with arbitrary small radius.
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Fap2: Molecular structure of the title compound, showing 50% probability displacement ellipsoids and atom numbering scheme. H atoms are drawn as circles with arbitrary small radius.


6-Methyl-sulfanyl-4H-pyrimido[1,6-a]pyrimidin-4-one.

Huang Q, Richardson PF, Rui E, Rheingold AL, Yanovsky A - Acta Crystallogr Sect E Struct Rep Online (2009)

Molecular structure of the title compound, showing 50% probability displacement ellipsoids and atom numbering scheme. H atoms are drawn as circles with arbitrary small radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2970259&req=5

Fap2: Molecular structure of the title compound, showing 50% probability displacement ellipsoids and atom numbering scheme. H atoms are drawn as circles with arbitrary small radius.
Bottom Line: Reaction of 2-(methyl-sulfan-yl)pyrimidin-4-amine with the 5-(methoxy-vinyl-idene) derivative of Meldrum's acid and subsequent heating of the product in Dowtherm fluid yielded the title compound, C(8)H(7)N(3)OS, which was proven to contain a bicyclic 4H-pyrimido[1,6-a]pyrimidine system.The bond-length distribution in the bicyclic core shows localization of the double bonds.The geometry of the intra-molecular S⋯O 1,5-contact [2.534 (2) Å] is consistent with the existence of an attractive inter-action.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
Reaction of 2-(methyl-sulfan-yl)pyrimidin-4-amine with the 5-(methoxy-vinyl-idene) derivative of Meldrum's acid and subsequent heating of the product in Dowtherm fluid yielded the title compound, C(8)H(7)N(3)OS, which was proven to contain a bicyclic 4H-pyrimido[1,6-a]pyrimidine system. All non-H atoms of the mol-ecule are coplanar within 0.15 Å. The bond-length distribution in the bicyclic core shows localization of the double bonds. The geometry of the intra-molecular S⋯O 1,5-contact [2.534 (2) Å] is consistent with the existence of an attractive inter-action.

No MeSH data available.