Rg. Raptis et al., STRUCTURE OF [3,5-(C6H5)2C3H2N2]4 - A 3,5-DIPHENYLPYRAZOLE TETRAMER LINKED BY HYDROGEN-BONDS, Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 1716-1719
3,5-Diphenylpyrazole, C15H12N2, M(r) = 220.1, monoclinic, C2/c (No. 15
), a = 16.948 (4) angstrom, b = 17.163 (4) angstrom, c = 17.677 (6) an
gstrom, beta = 109.59 (2)-degrees, V = 4844 (2) angstrom3, Z = 32, D(x
) 1.21 Mg m-3, lambda(Mo Kalpha) 0.71069 angstrom, alpha = 0.07 mm-1,
F(000) = 1861.6, T = 298 K, final R = 0.056 and wR = 0.058 for 259 var
iable parameters and 2073 reflections with F(o)2 > 3sigma(F(o)2) . The
asymmetric unit consists of a hydrogen-bonded dimer of 3,5-diphenylpy
razole which is further hydrogen bonded to form four discrete tetramer
ic aggregates per unit cell. Each tetrameric unit forms a twelve-membe
red (N-N-H)4 heterocycle.