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5-Methyl-3,6,7,8a-tetra­hydro-2H-diimidazo[1,2-c:1′,2′-e]pyrido[1,2-a][1,3,5]triazin-5-ium iodide

The structure of the title compound, C(12)H(16)N(5) (+)·I(−), shows that the methyl­ation reaction with CH(3)I occurred at the imine N atom at position 5 of the 3,6,7,8a-tetra­hydro-2H-diimidazo[1,2-c:1′,2′-e]pyrido[1,2-a][1,3,5]triazine system. In the cation, the sp (3)-hybridized C atom belonging...

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Detalles Bibliográficos
Autores principales: Wasilewska, Aleksandra, Sączewski, Franciszek, Gdaniec, Maria
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979596/
https://www.ncbi.nlm.nih.gov/pubmed/21579550
http://dx.doi.org/10.1107/S1600536810019495
Descripción
Sumario:The structure of the title compound, C(12)H(16)N(5) (+)·I(−), shows that the methyl­ation reaction with CH(3)I occurred at the imine N atom at position 5 of the 3,6,7,8a-tetra­hydro-2H-diimidazo[1,2-c:1′,2′-e]pyrido[1,2-a][1,3,5]triazine system. In the cation, the sp (3)-hybridized C atom belonging to the fused dihydro­pyrine and dihydro-1,3,5-triazine rings deviates by 0.514 (3) Å from the best plane defined by the remaining cationic non-H atoms. The fused dihydro­pyridine and dihydro-1,3,5-triazine rings are each in a half-chair conformation with the sp (3)-hybridized C atom as a flap. The iodide anion is 3.573 (2) Å from the methyl­ated N atom and exhibits five short C—H⋯I(−) contacts with distances less than 3.16 Å. The structure has been determined from a non-merohedral twin with twin law [−1 0 0 0 − 1 0 0.115 0 1], minor domain = 0.1559 (12).