Journal article

(2,4,6-trinitrophenyl) guanidine

Graham Smith, Urs D Wermuth, Jonathan M White

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | INT UNION CRYSTALLOGRAPHY | Published : 2007

Abstract

(2,4,6-Trinitro-phen-yl)guanidine (picrylguanidine), C7H6N6O6, from the reaction of picrylsulfonic acid with guanidine carbonate, forms a three-dimensional framework structure through extensive hydrogen-bonding inter-actions, extending the centrosymmetric cyclic R 2 2(16) dimer association which includes duplex R 2 2(8) guanidine N - H⋯Onitro inter-actions. 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. © International Union of Crystallography 2007.

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