3,5-diamino-6-(2-fluorophenyl)-1,2,4-triazine-dimethylformamide (1/1)

Authors
Citation
Rw. Janes, 3,5-diamino-6-(2-fluorophenyl)-1,2,4-triazine-dimethylformamide (1/1), ACT CRYST C, 56, 2000, pp. 362-364
Citations number
10
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
56
Year of publication
2000
Part
3
Pages
362 - 364
Database
ISI
SICI code
0108-2701(200003)56:<362:3(>2.0.ZU;2-C
Abstract
The title compound, C9H8FN5. C3H7NO, contains two independent complexes in the asymmetric unit, each consisting of one 3.5-diamino-6-(2-fluorophenyl)- 1,2,4-triazine molecule and one dimethylformamide solvent molecule. One tri azine molecule is disordered over two conformations within the crystal, the occupancies being 62 (1) and 38 (1)%. The: phenyl ring of this molecule re solves into two conformations rotated by almost 180 degrees about the bridg ing bond between the two rings, while the triazine rings approximately supe rimpose on each other. The triazine molecules of the asymmetric unit differ in the dihedral angles between their respective phenyl and triazine ring p lanes, these being 57.6(2)degrees for the fully occupied, and 76.9 (6) and 106.8 (8)degrees for the partially occupied molecules. An extensive network of hydrogen bonds maintains the crystal structure.