8-Ammonionaphthalene-2-sulfonate monohydrate

the zwitterionic hydrate of 1,7-Cleve's acid

Graham Smith, Urs D. Wermuth, David J. Young

Research output: Contribution to journalArticleResearchpeer-review

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Abstract

The structure of 8-amino-2-naphthalene-sulfonic acid monohydrate (1,7-Cleve's acid hydrate), C10H9NO3S· H2O, 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.

Original languageEnglish
Pages (from-to)o2110-o2110
Number of pages1
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE65
Issue numberPart 9
DOIs
Publication statusPublished - 1 Sep 2009
Externally publishedYes

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Solvation
sulfonates
Hydrates
hydrates
centroids
Hydrogen bonds
acids
zwitterions
Acids
Water
sulfonic acid
Naphthalene
naphthalene
solvation
rings
hydrogen
cells
water
naphthalene-2-sulfonic acid
Cleve's acid

Cite this

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abstract = "The structure of 8-amino-2-naphthalene-sulfonic acid monohydrate (1,7-Cleve's acid hydrate), C10H9NO3S· H2O, 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) {\AA}], result in a two-dimensional sheet structure.",
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8-Ammonionaphthalene-2-sulfonate monohydrate : the zwitterionic hydrate of 1,7-Cleve's acid. / Smith, Graham; Wermuth, Urs D.; Young, David J.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. E65, No. Part 9, 01.09.2009, p. o2110-o2110.

Research output: Contribution to journalArticleResearchpeer-review

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