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

被引：6
|
作者：
PARVEZ, M [1 ]
FERGUSON, G [1 ]
机构：
[1] UNIV GUELPH,DEPT CHEM & BIOCHEM,GUELPH N1G 2W1,ON,CANADA
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1994年 / 50卷
关键词：
D O I：
10.1107/S0108270193012636
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The fused-ring system is essentially planar. Both N atoms of the five-membered ring are methylated with a delocalized positive charge (resulting in a zwitterionic structure, 1,7,9-trimethyl-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.
引用
收藏
页码：1303 / 1305
页数：3
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