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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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). |
format | Text |
id | pubmed-2979596 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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