Acta Crystallographica Section E
Volume 63, Issue 9, page o3759, September 2007
How to Cite
Smith, G., Wermuth, U. D. and White, J. M. (2007), (2,4,6-Trinitrophenyl)guanidine. Acta Crystallographica Section E, 63: o3759. doi: 10.1107/S1600536807038068
(2,4,6-Trinitrophenyl)guanidine (picrylguanidine), C7H6N6O6, from the reaction of picrylsulfonic acid with guanidine carbonate, forms a three-dimensional framework structure through extensive hydrogen-bonding interactions, extending the centrosymmetric cyclic R22(16) dimer association which includes duplex R22(8) guanidine N—H...Onitro interactions. The guanidine substituent chain has an endo [Ph—N=C(NH2)2] bond sequence rather than the less sterically encumbered exo [Ph—NH—C=NH(NH2)] sequence of the tautomeric form. As a result, there is significant bond-angle distortion about C(—N=) of the aromatic ring.