Crystal structure of 2,4,6-trinitropyridine and its N-oxide

The structures of 2,4,6-trinitropyridine (TNPy) and its N-oxide were determined by X-ray single crystal diffraction. TNPy and 2,4,6-trinitropyridine-1-oxide (TNPyO) crystallize in space groupPbcn andPnma, respectively. The crystallographic parameters are as follows: TNPy, a = 28.573(6) angstrom,b = 9.7394(19) angstrom, and c = 8.7566(18) angstrom, alpha = beta = gamma = 90 degrees, mu = 0.164 mm(-1),V = 2436.8(8) angstrom(3), z = 12, Dx = 1.751 mg/mm(3), F(000) = 1296,T = 293(2) K, 1.43 degrees <= theta <= 27.40 degrees, the final R factor: R-1 = 0.0574, wR(2) = 0.1337. TNPyO, a = 9.6272(19) angstrom,b = 14.128(3) angstrom, and c = 5.9943(12) angstrom, alpha = beta = gamma = 90 degrees, mu = 0.179 mm(-1), V = 815.3(3)angstrom(3), z = 4, Dx = 1.875 mg/mm(3), F(000) = 464,T = 293(2) K, 2.88 degrees <= theta <= 27.44 degrees, the final R factor: R-1 = 0.0497, wR(2) = 0.1515.