N-Benzyl-9-isopropyl-9H-purin-6-amine

The asymmetric unit of the title compound, C(15)H(17)N(5), consists of two mol­ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190 Å) and the benzene ring are 89.21 (3) and 82.14 (4)°. The mol­ecules within the asymmetric unit...

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Detalles Bibliográficos
Autores principales: Gergela, David, Rouchal, Michal, Bartoš, Peter, Vícha, Robert
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/PMC3685095/
https://www.ncbi.nlm.nih.gov/pubmed/23795114
http://dx.doi.org/10.1107/S1600536813013500
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author Gergela, David
Rouchal, Michal
Bartoš, Peter
Vícha, Robert
author_facet Gergela, David
Rouchal, Michal
Bartoš, Peter
Vícha, Robert
author_sort Gergela, David
collection PubMed
description The asymmetric unit of the title compound, C(15)H(17)N(5), consists of two mol­ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190 Å) and the benzene ring are 89.21 (3) and 82.14 (4)°. The mol­ecules within the asymmetric unit are linked into dimers by pairs of N—H⋯N hydrogen bonds. Weak C—H⋯π contacts and π–π inter­actions [centroid–centroid = 3.3071 (1) Å] further connect the mol­ecules into a three-dimensional network.
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spelling pubmed-36850952013-06-21 N-Benzyl-9-isopropyl-9H-purin-6-amine Gergela, David Rouchal, Michal Bartoš, Peter Vícha, Robert Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(15)H(17)N(5), consists of two mol­ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190 Å) and the benzene ring are 89.21 (3) and 82.14 (4)°. The mol­ecules within the asymmetric unit are linked into dimers by pairs of N—H⋯N hydrogen bonds. Weak C—H⋯π contacts and π–π inter­actions [centroid–centroid = 3.3071 (1) Å] further connect the mol­ecules into a three-dimensional network. International Union of Crystallography 2013-05-25 /pmc/articles/PMC3685095/ /pubmed/23795114 http://dx.doi.org/10.1107/S1600536813013500 Text en © Gergela 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
Gergela, David
Rouchal, Michal
Bartoš, Peter
Vícha, Robert
N-Benzyl-9-isopropyl-9H-purin-6-amine
title N-Benzyl-9-isopropyl-9H-purin-6-amine
title_full N-Benzyl-9-isopropyl-9H-purin-6-amine
title_fullStr N-Benzyl-9-isopropyl-9H-purin-6-amine
title_full_unstemmed N-Benzyl-9-isopropyl-9H-purin-6-amine
title_short N-Benzyl-9-isopropyl-9H-purin-6-amine
title_sort n-benzyl-9-isopropyl-9h-purin-6-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685095/
https://www.ncbi.nlm.nih.gov/pubmed/23795114
http://dx.doi.org/10.1107/S1600536813013500
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