HIADIAZOLO[3,2-C]QUINAZOLIN-6-IUM-B-10-CARBOXYLATE HYDRATE

Citation
Q. Zhang et al., HIADIAZOLO[3,2-C]QUINAZOLIN-6-IUM-B-10-CARBOXYLATE HYDRATE, Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 325-327
Citations number
8
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
3
Pages
325 - 327
Database
ISI
SICI code
0108-2701(1997)53:<325:HH>2.0.ZU;2-#
Abstract
The C11H10N4O2S molecule in the title compound, C11H10N4O2S.H2O, is a new heterocycle. It comprises three fused rings and exists in a zwitte rionic form. The two six-membered rings are approximately coplanar, bu t the presence of a saturated C-sp3 atom at the junction of the five-m embered and central six-membered rings imposes a marked non-coplanarit y on these, with a dihedral angle of 23.1(2)degrees. The molecule is t hus chiral and the crystal structure is a racemate incorporating two m olecules of water for each RIS pair of molecules. There is an extensiv e hydrogen-bonding network.