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Isopropyl-aminium 2-carb-oxy-4,5-di-chloro-benzoate.

ABSTRACT: In the structure of the 1:1 proton-transfer compound of isopropyl-amine with 4,5-dichloro-phthalic acid, C(3)H(10)N(+)·C(8)H(3)Cl(2)O(4) (-), the three cation H-atom donors associate with three separate carboxyl O-atom anion acceptors, giving conjoint cyclic R(4) (4)(12), R(4) (4)(16) hydrogen-bonding cation-anion inter-actions in a one-dimensional ribbon structure. In the anions, the carboxyl groups lie slightly out of the plane of the benzene ring [maximum deviations = 0.439?(1) for a carboxylic acid O atom and 0.433?(1)?Å for a carboxyl-ate O atom]. However, the syn-related proton of the carboxylic acid group forms the common short intra-molecular O-H?O(carbox-yl) hydrogen bond.

SUBMITTER: Smith G

PROVIDER: S-EPMC2980220 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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Isopropyl-aminium 2-carb-oxy-4,5-di-chloro-benzoate.

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20091212 Pt 1

In the structure of the 1:1 proton-transfer compound of isopropyl-amine with 4,5-dichloro-phthalic acid, C(3)H(10)N(+)·C(8)H(3)Cl(2)O(4) (-), the three cation H-atom donors associate with three separate carboxyl O-atom anion acceptors, giving conjoint cyclic R(4) (4)(12), R(4) (4)(16) hydrogen-bonding cation-anion inter-actions in a one-dimensional ribbon structure. In the anions, the carboxyl groups lie slightly out of the plane of the benzene ring [maximum deviations = 0.439 (1) for a carboxyl ...[more]

PMID: 21580024

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