| ROUCHAL, Michal, Marek NEČAS, Fabiana Pires DE CARVALHO a Robert VÍCHA. 2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone. Acta Crystallographica Section E: Structure Reports Online. Malden, USA: BLACKWELL PUBLISHING, 2009, roč. 65, č. 2, s. o298-o299, 2 s. ISSN 1600-5368. |
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@article{838453,
author = {Rouchal, Michal and Nečas, Marek and de Carvalho, Fabiana Pires and Vícha, Robert},
article_location = {Malden, USA},
article_number = {2},
keywords = {DEPENDENT KINASE INHIBITOR; OLOMOUCINE-II; PURINES},
language = {eng},
issn = {1600-5368},
journal = {Acta Crystallographica Section E: Structure Reports Online},
title = {2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone},
url = {http://journals.iucr.org/e/issues/2009/02/00/pk2141/index.html},
volume = {65},
year = {2009}
}
TY - JOUR
ID - 838453
AU - Rouchal, Michal - Nečas, Marek - de Carvalho, Fabiana Pires - Vícha, Robert
PY - 2009
TI - 2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone
JF - Acta Crystallographica Section E: Structure Reports Online
VL - 65
IS - 2
SP - o298-o299
EP - o298-o299
PB - BLACKWELL PUBLISHING
SN - 16005368
KW - DEPENDENT KINASE INHIBITOR
KW - OLOMOUCINE-II
KW - PURINES
UR - http://journals.iucr.org/e/issues/2009/02/00/pk2141/index.html
N2 - The structure of the title compound, C27H32ClN5O, consists of two crystallographically independent conformers differing slightly in all geometric parameters. Both contain nearly planar purine and benzene ring systems [ maximum deviations of 0.046 (3) and 0.005 (2) angstrom, respectively], the dihedral angles between them being 76.44 (6) and 82.39 (6)degrees, and an adamantane cage consisting of three fused cyclohexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.7 (2)-110.6 (2)degrees. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)degrees in the two conformers]. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot N interactions that link adjacent molecules into dimers and by some non-bonding contacts of the C-H center dot center dot center dot Cl type.
ER -
ROUCHAL, Michal, Marek NEČAS, Fabiana Pires DE CARVALHO a Robert VÍCHA. 2-(1-Adamantyl)-1-$\{$4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl$\}$ethanone. \textit{Acta Crystallographica Section E: Structure Reports Online}. Malden, USA: BLACKWELL PUBLISHING, 2009, roč.~65, č.~2, s.~o298-o299, 2 s. ISSN~1600-5368.
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