Structure of an eight-membered CN4S3 ring with a Ph3P=N substituent

triphenylphosphinimino)-1,3,5,-2,4,6,8-trithiatetrazocine, C25H20N5PS3, Mr = 517.64,monoclinic, P21/c, a = 13.957(3), b = 9.242 (3), c = 19.473(4)/k, fl= 102.80 (2) °, V= 2449.4A 3, Z =4, Dx=l.4Ogcm -3, 2(MoKc0=0.71069A,~= 3.8cm -1, F(000)=1072, T=293(1) K, final R= 0.038 for 2430 observed reflections.The molecule has a phenyl ring substituted at a planar carbon, and a PhaP=N group substituted at S in the 3-position.The CN4S3 ring is folded by 114.5 °, with an almost planar SNCNS fragment, and an endo-S-envelope SNSNS fragment (dihedral 145.0°).The PhaP=N substituent at S is endo and the transannular S...