The structure of heterocyclic compounds containing nitrogen. I. Crystal and molecular structure of s ‐tetrazine

considerable amount of theoretical work has been carried out in order to correlate the physical and chemical properties of heterocyclic compounds with their electronic structures. However, the lack of suff iciently accurate exper imental da ta on the molecular structures of these compounds necessitated the adopt ion of a number of assumptions which l imit the rel iabi l i ty of the results of the theoretical calculations. Careful X-ray investigations of the molecular structure of a few heterocyclic compounds have therefore been under taken recent ly by various authors. Work on conjugated heterocyclic molecules containing nitrogen is also in progress in our laboratory. This paper reports the results of an invest igat ion