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4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

ABSTRACT: In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1?(4)°. In the cation, the cyano-methyl group is twisted from the plane of the benzene ring [C-C-C-N = -86?(12)°]. In the crystal, the cations, anions and water mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, forming a chain along the c axis.

SUBMITTER: Lin JR

PROVIDER: S-EPMC3007019 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Lin Jin Rui JR

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1 (4)°. In the cation, the cyano-methyl group is twisted from the plane of the benzene ring [C-C-C-N = -86 (12)°]. In the crystal, the cations, anions and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a chain along the c axis. ...[more]

PMID: 21587801

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