2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate

In the title hydrated salt, C4H15N32+·C14H8O4S2−·2H2O, the dication (with both terminal –NH2 groups protonated) adopts a U-shaped conformation, the Namine—C—C—Nazanium torsion angles being 57.9&#8...

Full description

Bibliographic Details
Main Authors: Grant A. Broker, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2010-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810007117
Description
Summary:In the title hydrated salt, C4H15N32+·C14H8O4S2−·2H2O, the dication (with both terminal –NH2 groups protonated) adopts a U-shaped conformation, the Namine—C—C—Nazanium torsion angles being 57.9 (6) and 60.3 (6)°. The dianion is twisted: the central C—S—S—C torsion angle is 81.3 (2)° and the dihedral angle between the benzene rings is 85.4 (3)°. In the crystal, a chain in the a-axis direction mediated by water–carboxylate O—H...O hydrogen bonds through a sequence of alternating 12-membered {...OCO...HOH}2 and eight-membered {...O...HOH}2 synthons occurs, which involves only one of the carboxylate residues. The second carboxylate residue participates in N—H...O hydrogen bonding, generating a three-dimensional network, along with azanium–water N—H...O hydrogen bonds.
ISSN:1600-5368