4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)

The asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·0.5C(6)H(12)N(2), comprises the sulfonamide mol­ecule and half a mol­ecule of 1,4-di­aza­bicyclo­[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide mol­ecule, the aromati...

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Detalles Bibliográficos
Autores principales: Arman, Hadi D., Kaulgud, Trupta, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884290/
https://www.ncbi.nlm.nih.gov/pubmed/24454066
http://dx.doi.org/10.1107/S1600536813027037
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author Arman, Hadi D.
Kaulgud, Trupta
Tiekink, Edward R. T.
author_facet Arman, Hadi D.
Kaulgud, Trupta
Tiekink, Edward R. T.
author_sort Arman, Hadi D.
collection PubMed
description The asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·0.5C(6)H(12)N(2), comprises the sulfonamide mol­ecule and half a mol­ecule of 1,4-di­aza­bicyclo­[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide mol­ecule, the aromatic rings are almost perpendicular to one another [dihedral angle = 75.01 (8)°]. In the crystal, mol­ecules are connected into a three-mol­ecule aggregate via amide–DABCO N—H⋯N hydrogen bonds, and these are connected into a three-dimensional architecture via amino–DABCO N—H⋯O and amino-pyrimidine N—H⋯N hydrogen bonds.
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spelling pubmed-38842902014-01-17 4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1) Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·0.5C(6)H(12)N(2), comprises the sulfonamide mol­ecule and half a mol­ecule of 1,4-di­aza­bicyclo­[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide mol­ecule, the aromatic rings are almost perpendicular to one another [dihedral angle = 75.01 (8)°]. In the crystal, mol­ecules are connected into a three-mol­ecule aggregate via amide–DABCO N—H⋯N hydrogen bonds, and these are connected into a three-dimensional architecture via amino–DABCO N—H⋯O and amino-pyrimidine N—H⋯N hydrogen bonds. International Union of Crystallography 2013-10-05 /pmc/articles/PMC3884290/ /pubmed/24454066 http://dx.doi.org/10.1107/S1600536813027037 Text en © Arman et al. 2013 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
Arman, Hadi D.
Kaulgud, Trupta
Tiekink, Edward R. T.
4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
title 4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
title_full 4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
title_fullStr 4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
title_full_unstemmed 4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
title_short 4-Amino-N-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
title_sort 4-amino-n-(4,6-di­methyl­pyrimidin-2-yl)benzene­sulfonamide–1,4-di­aza­bicyclo­[2.2.2]octane (2/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884290/
https://www.ncbi.nlm.nih.gov/pubmed/24454066
http://dx.doi.org/10.1107/S1600536813027037
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AT tiekinkedwardrt 4aminon46dimethylpyrimidin2ylbenzenesulfonamide14diazabicyclo222octane21

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