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

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

In the title compound, C26H30ClN5O·CHCl3, 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)°....

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Main Authors: Michal Rouchal, Marek Nečas, Robert Vícha
Format: Article
Language:English
Published: International Union of Crystallography 2009-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809016596
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spelling doaj-35e7438b7b2241fab6978cabb3cdb3912020-11-25T01:22:57ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-06-01656o1268o126810.1107/S1600536809016596(1-Adamantyl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}methanone trichloromethane solvateMichal RouchalMarek NečasRobert VíchaIn the title compound, C26H30ClN5O·CHCl3, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809016596
collection DOAJ
language English
format Article
sources DOAJ
author Michal Rouchal
Marek Nečas
Robert Vícha
spellingShingle Michal Rouchal
Marek Nečas
Robert Vícha
(1-Adamantyl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}methanone trichloromethane solvate
Acta Crystallographica Section E
author_facet Michal Rouchal
Marek Nečas
Robert Vícha
author_sort Michal Rouchal
title (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_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_sort (1-adamantyl){4-[(2-chloro-9-isopropyl-9h-purin-6-yl)aminomethyl]phenyl}methanone trichloromethane solvate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-06-01
description In the title compound, C26H30ClN5O·CHCl3, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809016596
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AT marekneamp269as 1adamantyl42chloro9isopropyl9hpurin6ylaminomethylphenylmethanonetrichloromethanesolvate
AT robertvamp237cha 1adamantyl42chloro9isopropyl9hpurin6ylaminomethylphenylmethanonetrichloromethanesolvate
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