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2-Amino-1,3-benzothia-zol-3-ium dihydrogen phosphate.

ABSTRACT: The cation of the title compound, C(7)H(7)N(2)S(+)·H(2)PO(4) (-), is almost planar (r.m.s deviation = 0.017?Å for all non-H atoms). In the crystal structure, the cations and anions are connected by N-H?O and O-H?O hydrogen bonds, with ?-? stacking inter-actions between neighbouring 1,3-thia-zole and benzene rings [centroid-centroid distance = 3.5711?(11)?Å], forming a three-dimensional network.

SUBMITTER: Siddiqui SZ

PROVIDER: S-EPMC3007550 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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2-Amino-1,3-benzothia-zol-3-ium dihydrogen phosphate.

Siddiqui Sabahat Zahra SZ Waqas Usama U Akkurt Mehmet M Aziz-Ur-Rehman Khan Islam Ullah IU

Acta crystallographica. Section E, Structure reports online 20100707 Pt 8

The cation of the title compound, C(7)H(7)N(2)S(+)·H(2)PO(4) (-), is almost planar (r.m.s deviation = 0.017 Å for all non-H atoms). In the crystal structure, the cations and anions are connected by N-H⋯O and O-H⋯O hydrogen bonds, with π-π stacking inter-actions between neighbouring 1,3-thia-zole and benzene rings [centroid-centroid distance = 3.5711 (11) Å], forming a three-dimensional network. ...[more]

PMID: 21588258

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