(1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate

In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol­ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Inter­molecular N—H⋯N hydrogen bonds link adjacent mol­ecules into centr...

Descripción completa

Detalles Bibliográficos
Autores principales: Rouchal, Michal, Nečas, Marek, Vícha, Robert
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969555/
https://www.ncbi.nlm.nih.gov/pubmed/21583132
http://dx.doi.org/10.1107/S1600536809016596
_version_ 1782190186317217792
author Rouchal, Michal
Nečas, Marek
Vícha, Robert
author_facet Rouchal, Michal
Nečas, Marek
Vícha, Robert
author_sort Rouchal, Michal
collection PubMed
description In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol­ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Inter­molecular N—H⋯N hydrogen bonds link adjacent mol­ecules into centrosymmetric dimers. The structure also contains inter­molecular C—H⋯O and C—H⋯N inter­actions. The benzene rings form offset face-to-face π–π stacking inter­actions with an inter­planar distance of 3.541 (4) Å and a centroid-to-centroid distance of 4.022 (4) Å.
format Text
id pubmed-2969555
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29695552010-12-30 (1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate Rouchal, Michal Nečas, Marek Vícha, Robert Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol­ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Inter­molecular N—H⋯N hydrogen bonds link adjacent mol­ecules into centrosymmetric dimers. The structure also contains inter­molecular C—H⋯O and C—H⋯N inter­actions. The benzene rings form offset face-to-face π–π stacking inter­actions with an inter­planar distance of 3.541 (4) Å and a centroid-to-centroid distance of 4.022 (4) Å. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969555/ /pubmed/21583132 http://dx.doi.org/10.1107/S1600536809016596 Text en © Rouchal et al. 2009 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
Rouchal, Michal
Nečas, Marek
Vícha, Robert
(1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
title (1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
title_full (1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
title_fullStr (1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
title_full_unstemmed (1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
title_short (1-Adamant­yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
title_sort (1-adamant­yl){4-[(2-chloro-9-isopropyl-9h-purin-6-yl)aminometh­yl]phen­yl}methanone trichloro­methane solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969555/
https://www.ncbi.nlm.nih.gov/pubmed/21583132
http://dx.doi.org/10.1107/S1600536809016596
work_keys_str_mv AT rouchalmichal 1adamantyl42chloro9isopropyl9hpurin6ylaminomethylphenylmethanonetrichloromethanesolvate
AT necasmarek 1adamantyl42chloro9isopropyl9hpurin6ylaminomethylphenylmethanonetrichloromethanesolvate
AT vicharobert 1adamantyl42chloro9isopropyl9hpurin6ylaminomethylphenylmethanonetrichloromethanesolvate

Ejemplares similares