A redetermination from the original data of the crystal structure of 2-amino-4,6-dimethoxy-pyrimidin-1-ium 4-aminobenzoate
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00462298" target="_blank" >RIV/68378271:_____/16:00462298 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1107/S2056989016004321" target="_blank" >http://dx.doi.org/10.1107/S2056989016004321</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2056989016004321" target="_blank" >10.1107/S2056989016004321</a>
Alternative languages
Result language
angličtina
Original language name
A redetermination from the original data of the crystal structure of 2-amino-4,6-dimethoxy-pyrimidin-1-ium 4-aminobenzoate
Original language description
The title structure, C6H9.5 N3O20.5+ C7H6.5 NO20.5-, which might be named schematically as 2-amino-4,6-dimethoxypyrimidine-( 2-hydrogen)-4-aminobenzoate to indicate a bridging H atom, has been redetermined from the data published by Thanigaimani, Muthiah & Lynch [Acta Cryst. (2006), E62, o2976– o2978]. The improvement of the present redetermination consists in a released geometry of the primary amine groups, which were originally assumed to be planar, as well as in a redetermination of the position of the hydroxy H atom. This H atom, whose parameters were originally constrained, turns out to be situated about the centre of the O ... N hydrogen bond in two disordered positions with occupancies of 0.5 each.
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
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/LO1603" target="_blank" >LO1603: Centre of Technology and Advanced Structure Analysis of Materials with Application Impact</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
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 - Crystallographic Communications
ISSN
2056-9890
e-ISSN
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Volume of the periodical
72
Issue of the periodical within the volume
Apr
Country of publishing house
GB - UNITED KINGDOM
Number of pages
4
Pages from-to
512-515
UT code for WoS article
000374651100023
EID of the result in the Scopus database
2-s2.0-84964068049