Structure of an eight-membered CN4S3 ring with a Ph3P=N substituent
Boeré, René T.
Oakley, Richard T.
International Union of Crystallography
7-Phenyl-3-(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= 2449.4 A 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...S contact is 2.415 (1)A.
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Boere, R. T., Ferguson, G., & Oakley, R. T. (1986). Structure of an eight-membered CN4S3 ring with a Ph3P=N substituent. Acta Crystallographica Section C, Crystal Structure Communications, C42, 900-902.