G. Perpétuo, J. Janczak
Jul 15, 2002
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Influential Citations
4
Citations
Journal
Acta crystallographica. Section C, Crystal structure communications
Abstract
In the crystal structure of 3-amino-1,2,4-triazine, C(3)H(4)N(4), the molecules form hydrogen-bonded chains that are almost parallel to the b axis (3.2 degrees), and which are inclined to the a and c axes by approximately 21 and approximately 69 degrees, respectively. The distortion of the 1,2,4-triazine ring in the crystal is compared with gas-phase ab initio molecular-orbital calculations.