3-Cyclopropyl-1,2,4-triazolo[3,4-b]benzo-thiazole monohydrate

Citation
K. Puviarasan et al., 3-Cyclopropyl-1,2,4-triazolo[3,4-b]benzo-thiazole monohydrate, ACT CRYST C, 55, 1999, pp. 1119-1121
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
55
Year of publication
1999
Part
7
Pages
1119 - 1121
Database
ISI
SICI code
0108-2701(19990715)55:<1119:3M>2.0.ZU;2-1
Abstract
The title structure, C11H9N3S . H2O, contains two crystallographically inde pendent molecules, each consisting of a 1,2,4-triazolo[3,4-b]benzothiazole- fused ring fragment substituted with a cyclopropyl ring, and a water molecu le. The geometry of both molecules differs slightly. Both molecules are pla nar within 0.041 and 0.03 Angstrom. The dihedral angle between triazole and the cyclopropyl ring is 60.0(1) and 61.7(1)degrees for molecules A and B, respectively, and the cyclopropyl ring is inclined at an angle of 2.0(1) an d 1.2(1)degrees to the benzothiazole moiety for molecules A and B, respecti vely. The packing of the molecules is stabilized by O-H ... N-type hydrogen bonds.