Brucinium toluene‐4‐sulfonate trihydrate at 130 K | Zendy

Smith Graham | Zendy; Wermuth Urs D. | Zendy; Healy Peter C. | Zendy; Young David J. | Zendy; White Jonathan M. | Zendy

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Brucinium toluene‐4‐sulfonate trihydrate at 130 K

Author(s) -

Smith Graham,

Wermuth Urs D.,

Healy Peter C.,

Young David J.,

White Jonathan M.

Publication year - 2005

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536805022695

Subject(s) - sulfonate , toluene , brucine , hydrogen bond , chemistry , molecule , sulfonic acid , acceptor , polymer chemistry , proton , sodium , medicinal chemistry , inorganic chemistry , crystallography , organic chemistry , biochemistry , physics , quantum mechanics , strychnine , condensed matter physics

The low‐temperature (130 K) structure of the 1:1 proton‐transfer compound of brucine with toluene‐4‐sulfonic acid (systematic name: 2,3‐dimethoxy‐10‐oxostrychnidinium toluene‐4‐sulfonate trihydrate), C 23 H 27 N 2 O 4 + ·C 7 H 7 O 3 S − ·3H 2 O, has been determined. The asymmetric unit contains two cations, two anions and six molecules of water. Brucinium cations form the familiar undulating head‐to‐tail ribbon structures, which associate with the toluene‐4‐sulfonate anions and the water molecules in the interstitial cavities through hydrogen‐bonding associations involving all available donor and acceptor atoms on all species. The result is a framework polymer structure.

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