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2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate
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(azanium) torsion angles being 57.9 (6) and 60.3 (6)°. The dianion is twisted: the central C—S—S—C torsion angle...
Autores principales: | , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983751/ https://www.ncbi.nlm.nih.gov/pubmed/21580455 http://dx.doi.org/10.1107/S1600536810007117 |
Sumario: | 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(azanium) 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. |
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