Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium 4-methyl-benzene-sulfonate.

ABSTRACT: In the title mol-ecular salt, C₉H₁₀N₅⁺·C₇H₇O₃S^-, the asymmetric unit consists of a 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium cation and a 4-methyl-benzene-sulfonate anion. The cation is protonated at the N atom lying between the amine and phenyl substituents. The protonated N and amino-group N atoms are involved in hydrogen bonding with the sulfonate O atoms through a pair of inter-molecular N-H⋯O hydrogen bonds, giving rise to a hydrogen-bonded cyclic motif with R₂²(8) graph-set notation. The inversion-related mol-ecules are further linked by four N-H⋯O inter-molecular inter-actions to produce a complementary DDAA (D = donor, A = acceptor) hydrogen-bond

SUBMITTER: Sangeetha R 

PROVIDER: S-EPMC6072993 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature