CRYSTAL STRUCTURE OF PENTAFLUOROACETANILIDE
S. P. Babailov1,2, P. A. Stabnikov1, N. V. Kuratieva1,2, P. A. Nikulshin3, S. A. Gromilov1,2
1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2Novosibirsk National Research State University, Novosibirsk, Russia
3Vorozhtsov Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: пентафторацетанилид, кристаллическая структура, молекулярное строение, ЯМР, pentafluoroacetanilide, crystal structure, molecular structure, NMR
Abstract
A new compound C6F5N(H)C(O)CH3 pentafluoroacetanilide, which is promising for the formation of coordination compounds with metal cations, is synthesized. Its crystal structure is determined (APEX DUO diffractometer, lMo K a, graphite monochromator, T = 150 K). Crystallographic data for C8H4F5NO are as follows: space group C 2/ c , a = 18.2460(7) Å, b = 10.5840(4) Å, c = 9.4489(4) Å, b = 116.198(1)°, V = 1637.28(11) Å3, Z = 8. The compound has a molecular structure formed of isolated pentafluoroacetanilide molecules. The average distances in the phenyl ring are 1.39 Å for C-C and 1.34 Å for C-F. The molecular structure of the studied compound is confirmed by 19F and 1H NMR in the solution CCl4/CDCl3 = 1:1 (v:v).
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