6-(4-Hydroxybenzylamino)purin-3-ium chloride; a protonated form of para-topoline
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F07%3A00004775" target="_blank" >RIV/61989592:15310/07:00004775 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
6-(4-Hydroxybenzylamino)purin-3-ium chloride; a protonated form of para-topoline
Original language description
The structure of the title compound, C12H12N5O+.Cl-, comprises a 6-(4-hydroxybenzylamino)purinium cation and a chloride anion. The cation exists as the N3-H tautomer. Intermolecular N-H ...N hydrogen bonds connect cations into centrosymmetric dimers, with an N...N distance of 2.821(2) A. Furthermore, the secondary structure is stabilized by O-H...Cl and N-H...Cl hydrogen bonds, weak nonbonding interatomic contacts of the types C-H...Cl (3.1652 A) and C-H...C (2.897 A), and pi-pi stacking interactions (3.357 A).
Czech name
Chlorid 6-(4-Hydroxybenzylamino)purin-3-ia; protonovaná forma para-topolinu
Czech description
Struktura titulní sloučeniny, C12H12N5O+.Cl-, se skládá z kationtů 6-(4-hydroxybenzylamino)purinia a chloridových aniontů. Kation existuje jako N3-H tautomer. Intermolekulární N-H ...N vodíkové vazby spojují kationty v centrosymetrické dimery, s N...N vzdáleností 2.821(2) A. Navíc, sekundární struktura je stabilizována pomocí O-H...Cl a N-H...Cl vodíkových vazeb, slabých nevazebných interakcí typu C-H...Cl (3.1652 A) a C-H...C (2.897 A), a pi-pi interakcí (3.357 A).
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
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2007
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
63
Issue of the periodical within the volume
9
Country of publishing house
DK - DENMARK
Number of pages
1
Pages from-to
"o3859"
UT code for WoS article
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EID of the result in the Scopus database
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