2,2'-Imino-diethanaminium 2,2'-(disulfanyldi-yl)dibenzoate dihydrate.

ABSTRACT: In the title hydrated salt, C(4)H(15)N(3) (2+)·C(14)H(8)O(4)S(2) (-)·2H(2)O, the dication (with both terminal -NH(2) groups protonated) adopts a U-shaped conformation, the N(amine)-C-C-N(aza-nium) 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-carboxyl-ate 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 carboxyl-ate residues. The second carboxyl-ate residue participates in N-H?O hydrogen bonding, generating a three-dimensional network, along with aza-nium-water N-H?O hydrogen bonds.

SUBMITTER: Broker GA 

PROVIDER: S-EPMC2983751 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature