The structure of the norbornadiene adduct of 5-phenyl-1,3,2,4,6-dithiatriazine

Abstract

10-Phenyl- 1,8-dithia-9,11,12-triazatetracyclo- [6.3.1.1 a,6.02,7]tfideca- 1 (11),4,9,8 (12)-tetraene, C ~4- H13N3S2, Mr-- 287.4, monoclinic, P2 l, a = 5-789 (2), b=10.064(1), c--11.109(2)A, fl=94.78(2) °, V = 644.9 (4)/~3, Z = 2, D x = 1.48 g cm -3, 2(Mo Kct) =0.71073/~, p-- 3.84cm -~, F(000)= 300, T-- 293 K, R -- 0.037 for 1203 unique observed reflections. The norbornadiene bonds to the sulfur atoms in the exo-fl orientation and the nitrogen atom between the sulfur atoms is displaced 0.802 (4)/~ from the SNCNS plane. The C-N bond lengths are equal [1.335 (5)A] and the S--N bond lengths in a very narrow range of values [1.637 (4)-1.652 (4) A].