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4-Amino-pyridinium 4-amino-benzene-sulfonate 4-ammonio-benzene-sulfonate monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(6)H(6)NO(3)S(-)·C(6)H(7)NO(3)S·H(2)O, contains one 4-ammonio-benzene-sulfonate zwitterion ((+)H(3)NC(6)H(4)SO(3) (-)), one 4-amino-benzene-sulfonate anion (H(2)NC(6)H(4)SO(3) (-)), one 4-amino-pyridinium cation and two half-mol-ecules of water, each lying on a twofold rotation axis. The various ions and molecules in the structure are linked through N-H⋯O, N-H⋯N and N-H⋯S hydrogen bonds and C-H-π inter-actions into a three-dimensional framework.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2960977 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Amino-3-ammonio-benzene-sulfonate.

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Project description:In the crystal structure of the title compound, C(16)H(19)N(2) (+)·C(8)H(10)NO(3)S(-)·H(2)O, the cations and anions are linked by O-H?O and N-H?O hydrogen bonds, forming alternating layers parallel to the ac plane. An intra-molecular N-H?O hydrogen bond occurs in the anion. The crystal structure is further stabilized by ?-? inter-actions, with centroid-centroid distances of 3.7240?(9) and 3.6803?(8)?Å.

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Project description:In the crystal structure of the title organic salt, C(16)H(19)N(2) (+)·C(9)H(11)O(3)S(-)·H(2)O, the cations pack head-to-tail within a sheet and are aligned in opposite directions in neighboring sheets. The benzene ring of the anion makes an angle of 76.99 (6)° with the plane of the cationic chromophore. The cations are situated in the ab plane, whereas the benzene rings of the anions lie in the ac plane.

| S-EPMC3099972 | biostudies-literature

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