(2,4,6-Trinitrophenyl)guanidine (picrylguanidine), C7H6N6O6, from the reaction of picrylsulfonic acid with guanidine carbonate, forms a three-dimensional framewok structure through extensive hydrogen-bonding interactions, extending the centrosymmetric cyclic R2/2(6) dimer association which includes duplex R2/2(8) guanidine N-H...O 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 the C(-N=) of the aromatic ring.
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|Item Type:||Journal Article|
|Keywords:||crystal structure, guanidine, picrylsulfonic acid|
|Subjects:||Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)|
|Divisions:||Past > QUT Faculties & Divisions > Faculty of Science and Technology|
|Copyright Owner:||Copyright 2007 IUCr|
|Copyright Statement:||The definitive version is available at www.blackwell-synergy.com|
|Deposited On:||16 Aug 2007|
|Last Modified:||29 Feb 2012 13:38|
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