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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
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author Wasilewska, Aleksandra
Sączewski, Franciszek
Gdaniec, Maria
author_facet Wasilewska, Aleksandra
Sączewski, Franciszek
Gdaniec, Maria
author_sort Wasilewska, Aleksandra
collection PubMed
description 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).
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spelling pubmed-29795962010-12-30 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 Wasilewska, Aleksandra Sączewski, Franciszek Gdaniec, Maria Acta Crystallogr Sect E Struct Rep Online Organic Papers 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). International Union of Crystallography 2010-05-29 /pmc/articles/PMC2979596/ /pubmed/21579550 http://dx.doi.org/10.1107/S1600536810019495 Text en © Wasilewska et al. 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
Wasilewska, Aleksandra
Sączewski, Franciszek
Gdaniec, Maria
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979596/
https://www.ncbi.nlm.nih.gov/pubmed/21579550
http://dx.doi.org/10.1107/S1600536810019495
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