1,7,9-TRIMETHYL-2,6-PURINEDIONE MONOHYDRATE, C8H10N4O2-CENTER-DOT-H2O

Authors
PARVEZ M FERGUSON G
Citation
M. Parvez et G. Ferguson, 1,7,9-TRIMETHYL-2,6-PURINEDIONE MONOHYDRATE, C8H10N4O2-CENTER-DOT-H2O, Acta crystallographica. Section C, Crystal structure communications, 50, 1994, pp. 1303-1305
Citations number
18
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
50
Year of publication
1994
Part
8
Pages
1303 - 1305
Database
ISI
SICI code
0108-2701(1994)50:<1303:1MC>2.0.ZU;2-B
Abstract
The fused-ring system is essentially planar. Both N atoms of the five- membered ring are methylated with a delocalized positive charge (resul ting in a zwitterionic structure, ethyl-2,6-dioxo-1,3-dihydropurin-(7/ 9)-ium-3-ide). One N atom of the six-membered ring is also methylated and the other has a formal negative charge. The crystal contains three types of hydrogen bonding, O-H...O, O-H...N and C-H...O with O...O 2. 918 (3), O...N 2.896(3) and C...O 3.009(3) Angstrom, and H...acceptor 2.05 (4)-2.06(4) Angstrom.