Cocrystallization of Diphenylamine and Picric acid (1:2)

抄録

The title compound, diphenylamine-picric acid (1:2) (C₁₂H₁₁N·2C₆H₃N₃O₇), crystallizes in the monoclinic space group P2₁/a with the following unit-cell parameters: a = 25.4238(14), b = 6.9922(5), c = 15.1311(8)Å, β = 92.335(5)°, Z = 4. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0770 for 2426 observed reflections. In the title molecular complex, both of the picric acid molecules are disordered, corresponding to a rotation about one H-C…C-N axis, resulting in two sites for the hydroxyl group. In the diphenylamine molecule, the two phenyl rings are rotated with respect to each other by a dihedral angle of 33.0(1)°. The crystal structure is stabilized by N-H…O and C-H…O hydrogen bonds and π-π stacking interactions.