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, C12H16N5+·I−, shows that the methylation reaction with CH3I 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 sp3-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 sp3-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).

Abstract licence: CC BY

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