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Supramolecular patterns in benzyladeninium p‐toluenesulfonate
Authors:Duraisamy Tamilselvi  P Thomas Muthiah
Abstract:In the title compound (systematic name: 6‐benzylamino‐7H‐purin‐3‐ium p‐toluenesulfonate), C12H12N5+·C7H7O3S?, the adenine moiety exists as the N3‐protonated N7—H tautomer. The dihedral angle between the adenine ring system and the phenyl ring is 82.76 (11)°. Two of the sulfonate O atoms form C—H...O and N—H...O hydrogen bonds with the H atoms on the N and C atoms in the 3‐ and 8‐positions, respectively, of the adenine moiety, leading to a zigzag chain. Two antiparallel zigzag chains are linked by the remaining sulfonate O atom through Hoogsteen‐site H atoms (i.e. those on the N atoms in the 6‐ and 7‐positions) of the adenine moiety, leading to a double chain. An annulus formed by a pair of inversion‐related anions and cations has been identified. An intramolecular toluenesulfonate–phenyl C—H...π interaction is also present.
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