Brucinium toluene-4-sulfonate trihydrate at 130 K

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

doi:10.1107/S1600536805022695

Brucinium toluene-4-sulfonate trihydrate at 130 K

Graham Smith, Urs D. Wermuth, Peter C. Healy, David J. Young, Jonathan M. White

Research output: Contribution to journal › Article › peer-review

Abstract

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), C₂₃H ₂₇N₂O₄⁺·C₇H ₇O₃S^-3H₂O, 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.

Original language	English
Pages (from-to)	o2646-o2648
Number of pages	3
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	E61
Issue number	Part 8
DOIs	https://doi.org/10.1107/S1600536805022695
Publication status	Published - 1 Aug 2005
Externally published	Yes

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title = "Brucinium toluene-4-sulfonate trihydrate at 130 K",

abstract = "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), C23H 27N2O4+·C7H 7O3S-3H2O, 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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T1 - Brucinium toluene-4-sulfonate trihydrate at 130 K

AU - Smith, Graham

AU - Wermuth, Urs D.

AU - Healy, Peter C.

AU - Young, David J.

AU - White, Jonathan M.

PY - 2005/8/1

Y1 - 2005/8/1

N2 - 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), C23H 27N2O4+·C7H 7O3S-3H2O, 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.

AB - 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), C23H 27N2O4+·C7H 7O3S-3H2O, 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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SN - 1600-5368

IS - Part 8

ER -

Brucinium toluene-4-sulfonate trihydrate at 130 K

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