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8-Ammonio-naphthalene-2-sulfonate monohydrate: the zwitterionic hydrate of 1,7-Cleve's acid.


ABSTRACT: The structure of 8-amino-2-naphthalene-sulfonic acid monohydrate (1,7-Cleve's acid hydrate), C(10)H(9)NO(3)S·H(2)O, shows the presence of a sulfonate-aminium group zwitterion, both groups and the water mol-ecule of solvation giving cyclic R(3) (3)(8) O-H⋯O and N-H⋯O inter-molecular hydrogen-bonding inter-actions, forming chains which extend down the a axis of the unit cell. Additional peripheral associations, including weak aromatic ring π-π inter-actions [centroid-centroid distance = 3.6299 (15) Å], result in a two-dimensional sheet structure.

SUBMITTER: Smith G 

PROVIDER: S-EPMC2969967 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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8-Ammonio-naphthalene-2-sulfonate monohydrate: the zwitterionic hydrate of 1,7-Cleve's acid.

Smith Graham G   Wermuth Urs D UD   Young David J DJ  

Acta crystallographica. Section E, Structure reports online 20090808 Pt 9


The structure of 8-amino-2-naphthalene-sulfonic acid monohydrate (1,7-Cleve's acid hydrate), C(10)H(9)NO(3)S·H(2)O, shows the presence of a sulfonate-aminium group zwitterion, both groups and the water mol-ecule of solvation giving cyclic R(3) (3)(8) O-H⋯O and N-H⋯O inter-molecular hydrogen-bonding inter-actions, forming chains which extend down the a axis of the unit cell. Additional peripheral associations, including weak aromatic ring π-π inter-actions [centroid-centroid distance = 3.6299 (15  ...[more]

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