8-Methyl-3,N-bis(trifluoroacetyl)oxazolo[3,2-a]pyridinium-2-imidate

Victor B. Rybakov, Alexander A. Bush, Sergei I. Troyanov, Eugene V. Babaev, Erhard Kemnitz
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.002 Å; R factor = 0.048; wR factor = 0.110; data-to-parameter ratio = 17.0. The title compound, C 12 H 6 F 6 N 2 O 3 , belongs to a class of mesoionic compounds. The crystal packing exibits a short intermolecular C(heterobicycle)Á Á ÁO(N-trifluoroacetyl) contact of 2.9573 (14) Å , which indicates the distribution of the positive charge in the N C O chain of the heterobicycle. Related literature For the crystal structures of
more » ... lated mesoionic compounds, see: Rybakov et al. Experimental Crystal data C 12 H 6 F 6 N 2 O 3 M r = 340.19 Triclinic, P1 a = 4.7470 (9) Å b = 10.020 (2) Å c = 13.121 (3) Å = 87.07 (2) = 85.54 (2) = 79.16 (2) V = 610.7 (2) Å 3 Z = 2 Mo K radiation = 0.19 mm 1 T = 100 (2) K 0.5 Â 0.2 Â 0.1 mm Data collection Stoe IPDS diffractometer Absorption correction: none 3647 measured reflections 3561 independent reflections 3033 reflections with I > 2(I) R int = 0.026
doi:10.1107/s1600536807036227 fatcat:ira4fwzmmzez5l4mnmcq3z25f4