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(2-Hydroxy-ethyl)(prop-yl)aza-nium 2-[(2-carboxy-phen-yl)disulfan-yl]benzoate monohydrate.

ABSTRACT: With the exception of the terminal hydr-oxy group [N-C-C-O = 53.8?(5)°], the cation of the title salt hydrate, C(5)H(14)NO(+)·C(14)H(9)O(4)S(2) (-.)H(2)O, is a straight chain. A twisted conformation is found for the anion [C-S-S-C = -87.44?(16)°]. In the crystal, the anions self-assemble into a helical supra-molecular chain via charge-assisted O-H?O(c) hydrogen bonds. These chains are connected into a three-dimensional network via N-H?O(c), N-H?O(w), O(h)-H?O(cb), and O(w)-H?O(c) hydrogen-bonding inter-actions (c = carboxyl-ate, w = water, h = hydr-oxy and cb = carbon-yl).

SUBMITTER: Broker GA

PROVIDER: S-EPMC2983894 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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(2-Hydroxy-ethyl)(prop-yl)aza-nium 2-[(2-carboxy-phen-yl)disulfan-yl]benzoate monohydrate.

Broker Grant A GA Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100306 Pt 4

With the exception of the terminal hydr-oxy group [N-C-C-O = 53.8 (5)°], the cation of the title salt hydrate, C(5)H(14)NO(+)·C(14)H(9)O(4)S(2) (-.)H(2)O, is a straight chain. A twisted conformation is found for the anion [C-S-S-C = -87.44 (16)°]. In the crystal, the anions self-assemble into a helical supra-molecular chain via charge-assisted O-H⋯O(c) hydrogen bonds. These chains are connected into a three-dimensional network via N-H⋯O(c), N-H⋯O(w), O(h)-H⋯O(cb), and O(w)-H⋯O(c) hydrogen-bondin ...[more]

PMID: 21580593

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