Structures of the cis and trans isomers of 2,4,6-tri-tert-butyl-2,4,6-trifluorocyclotrisilazane, C12H30F3N3Si3

W. Clegg; In Memory: G.M. Sheldrick (1942–2025); D. Stalke

doi:10.1107/s0108270184005837

Structures of the cis and trans isomers of 2,4,6-tri-tert-butyl-2,4,6-trifluorocyclotrisilazane, C12H30F3N3Si3

Acta Crystallographica Section C Crystal Structure Communications 40(5): 816-818

Article 1984 English

Abstract

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Mr= 357.6; cis isomer (1): trigonal, P3, a = 10.873(1), c = 10.040(1)/~, U = 1027.9,/k 3, Z =2, D x=l.155Mgm -3, MoKct, 2=0.71069,/L, g =0.25mm -l, F(000)=384, T=291K, R=0.054 for 1232 observed reflections; trans isomer (2): monoclinic, P2Jn, a=18.077(4),b=10.569(2),c = 22.015 (6)/i,, fl = 104.67(3) °, U = 4069.0,~3, Z =8, D x= 1.167Mgm -3, g=0.25mm -~, F(000)= 1536, T= 291 K, R = 0.071 for 4421 observed reflections.(1) has crystallographic threefold rotation symmetry and a virtually planar Si3N 3 ring [r.m.s.deviation = 0.017 (2) A].The two crystallographicaUy independent molecules of (2) lie in general positions and deviations from planarity of the ring are greater [r.m.s.A = 0.086 (3) and 0.128 (3) A].

Structures of the cis and trans isomers of 2,4,6-tri-tert-butyl-2,4,6-trifluorocyclotrisilazane, C12H30F3N3Si3

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