2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F70883521%3A28110%2F09%3A63508181" target="_blank" >RIV/70883521:28110/09:63508181 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14310/09:00042597
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone
Original language description
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) and0.005 (2) ?, respectively], the dihedral angles between them being 76.44 (6) and 82.39 (6)°, 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)°. Thecarbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)° in the two conformers]. The crystal structure is stabilized by intermolecular N?H???N interactions that link adjacent molecules into dimers and by some non-bonding contacts of the C?H???Cl type.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GP203%2F06%2FP362" target="_blank" >GP203/06/P362: Goal-directed drugs structure modification</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica Section E - Structure Reports Online
ISSN
1600-5368
e-ISSN
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Volume of the periodical
65
Issue of the periodical within the volume
2
Country of publishing house
DK - DENMARK
Number of pages
2
Pages from-to
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UT code for WoS article
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EID of the result in the Scopus database
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