Acta Cryst. (2007). E63, o3759  [ doi:10.1107/S1600536807038068 ]

(2,4,6-Trinitrophenyl)guanidine

G. Smith, U. D. Wermuth and J. M. White

Abstract: (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-HO_nitro 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.

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