| Popis: |
tert-Butyl N-trifluoromethylcarbamate, C6HIoF3NO 2, Mr= 185.146, Pbca, a = 11.801 (2), b=17.030(4), c=9.262(1)A, V=1861.3(6)A 3, Z = 8, D x = 1.321 Mg m -3, 2(Mo Ktx) = 0.71073/~, g = 0.13 mm -I, F(000) = 768, 296 K, R = 0.059, 878 observed reflections. The carbamate possesses an unusually short N-CF 3 bond, 1.361 (6)/~, and a somewhat lengthened N-C(O 2) bond, 1.369 (5) A. The CNC(=O)OC section of the molecule is planar with the CC 3 and CF 3 groups staggered with respect to the C-O bond. Hydrogen bonding links the molecules into infinite chains. 3-Phenyl- 1-trifluoromethyltriazene, CTH6F3N3, Mr= 189.143, P2Jn, a=9.792(2), b =5.240(1), c=16.328(5)/~, fl=95.44(2) °, V= 834.0 (6) A 3, Z = 4, D x = 1.506 Mg m -3, 2(Mo K~t) = 0.71073 ,/~, g --- 0.13 mm -I, F(000) = 384, 295 K, R = 0.052, 1172 observed reflections. A short N--CF 3 bond, 1.409 (3) A, is found in the triazene, which exists as centrosymmetric dimers held together by weak hydrogen bonds. The CNNNC part of the molecule is planar and forms an angle of 160 ° with the plane of the phenyl ring. The C F 3 group is disordered. |
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