R. W. Janes
Mar 15, 2000
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Influential Citations
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Journal
Acta crystallographica. Section C, Crystal structure communications
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 triazine molecule is disordered over two conformations within the crystal, the occupancies being 62 (1) and 38 (1)%. The phenyl ring of this molecule resolves into two conformations rotated by almost 180° about the bridging bond between the two rings, while the triazine rings approximately superimpose on each other. The triazine molecules of the asymmetric unit differ in the dihedral angles between their respective phenyl and triazine ring planes, these being 57.6 (2)° for the fully occupied, and 76.9 (6) and 106.8 (8)° for the partially occupied molecules. An extensive network of hydrogen bonds maintains the crystal structure.