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2-Carboxy-quinolinium-2,4,6-trinitro-benzene-sulfonate-quinolinium-2-carboxyl-ate (1/1/1).

ABSTRACT: The structure of the title adduct compound, C(10)H(8)NO(2) (+)·C(6)H(2)N(3)O(9)S(-)·C(10)H(7)NO(2), from the reaction of 2,4,6-trinitro-benzene-sulfonic acid (picrylsulfonic acid) with quinoline-2-carboxylic acid (quinaldic acid) in 2-propanol-water, has been determined at 130?(2)?K. The cation and the adduct species form a twisted cyclic hydrogen-bonded R(2) (2)(10) pseudo-dimer which is extended into a one-dimensional chain structure through short head-to-tail carboxylic acid O-H?O(carbox-yl) associations [O?O = 2.4711?(19)?Å]. The picrylsulfonate anions are attached peripherally by single N-H?O(sulfonate) hydrogen bonds [N?O = 2.8643?(19)?Å].

SUBMITTER: Smith G

PROVIDER: S-EPMC2915202 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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2-Carboxy-quinolinium-2,4,6-trinitro-benzene-sulfonate-quinolinium-2-carboxyl-ate (1/1/1).

Smith Graham G Wermuth Urs D UD White Jonathan M JM

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The structure of the title adduct compound, C(10)H(8)NO(2) (+)·C(6)H(2)N(3)O(9)S(-)·C(10)H(7)NO(2), from the reaction of 2,4,6-trinitro-benzene-sulfonic acid (picrylsulfonic acid) with quinoline-2-carboxylic acid (quinaldic acid) in 2-propanol-water, has been determined at 130 (2) K. The cation and the adduct species form a twisted cyclic hydrogen-bonded R(2) (2)(10) pseudo-dimer which is extended into a one-dimensional chain structure through short head-to-tail carboxylic acid O-H⋯O(carbox-yl) ...[more]

PMID: 21200697

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