6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine

The mol­ecule of the title compound, C(19)H(23)N(5)O(3), contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N—H⋯N hydrogen bonds link mol­ecules into inversion dimers. The dimers...

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Detalles Bibliográficos
Autores principales: Štarha, Pavel, Popa, Igor, Dvořák, Zdeněk, Trávníček, Zdeněk
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/PMC3629587/
https://www.ncbi.nlm.nih.gov/pubmed/23634074
http://dx.doi.org/10.1107/S1600536813006697
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author Štarha, Pavel
Popa, Igor
Dvořák, Zdeněk
Trávníček, Zdeněk
author_facet Štarha, Pavel
Popa, Igor
Dvořák, Zdeněk
Trávníček, Zdeněk
author_sort Štarha, Pavel
collection PubMed
description The mol­ecule of the title compound, C(19)H(23)N(5)O(3), contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N—H⋯N hydrogen bonds link mol­ecules into inversion dimers. The dimers are linked via C—H⋯O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C—H⋯π and parallel slipped π–π inter­actions [centroid–centroid distance = 3.467 (1) Å; slippage 0.519 Å], forming a three-dimensional network.
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spelling pubmed-36295872013-04-30 6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine Štarha, Pavel Popa, Igor Dvořák, Zdeněk Trávníček, Zdeněk Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(19)H(23)N(5)O(3), contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N—H⋯N hydrogen bonds link mol­ecules into inversion dimers. The dimers are linked via C—H⋯O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C—H⋯π and parallel slipped π–π inter­actions [centroid–centroid distance = 3.467 (1) Å; slippage 0.519 Å], forming a three-dimensional network. International Union of Crystallography 2013-03-13 /pmc/articles/PMC3629587/ /pubmed/23634074 http://dx.doi.org/10.1107/S1600536813006697 Text en © Štarha 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
Štarha, Pavel
Popa, Igor
Dvořák, Zdeněk
Trávníček, Zdeněk
6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine
title 6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine
title_full 6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine
title_fullStr 6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine
title_full_unstemmed 6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine
title_short 6-(3,5-Dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9H-purine
title_sort 6-(3,5-dimeth­oxy­benzyl­amino)-9-(oxan-2-yl)-9h-purine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629587/
https://www.ncbi.nlm.nih.gov/pubmed/23634074
http://dx.doi.org/10.1107/S1600536813006697
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