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6-Amino-9H-purine-1,7-diium bis-(4-methyl-benzene-sulfonate) monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(5)H(7)N(5) (2+)·2C(7)H(7)O(3)S(-)·H(2)O, consists of one diprotonated adeninium cation, two p-toluene-sulfonic acid anions and one water mol-ecule. In the crystal, the cations and anions are connected through N-H?O hydrogen bonds forming R(2) (2)(8) and R(2) (2)(9) graph-set motifs. The solvent water mol-ecule links cations and anions through O-H?O and N-H?O hydrogen bonds, generating a two-dimensional layer parallel to (10).

SUBMITTER: Xiong ZQ

PROVIDER: S-EPMC2979717 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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6-Amino-9H-purine-1,7-diium bis-(4-methyl-benzene-sulfonate) monohydrate.

Xiong Zhi-Qiang ZQ Ai Yun-Long YL Wen Hui-Liang HL

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

The asymmetric unit of the title compound, C(5)H(7)N(5) (2+)·2C(7)H(7)O(3)S(-)·H(2)O, consists of one diprotonated adeninium cation, two p-toluene-sulfonic acid anions and one water mol-ecule. In the crystal, the cations and anions are connected through N-H⋯O hydrogen bonds forming R(2) (2)(8) and R(2) (2)(9) graph-set motifs. The solvent water mol-ecule links cations and anions through O-H⋯O and N-H⋯O hydrogen bonds, generating a two-dimensional layer parallel to (10). ...[more]

PMID: 21579748

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