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4-Methyl-pyridinium 2-carb-oxy-4,5-dichloro-benzoate monohydrate.

ABSTRACT: In the structure of the 1:1 proton-transfer compound of 4-methyl-pyridine (?-picoline) with 4,5-dichloro-phthalic acid, C(6)H(8)N(+)·C(8)H(3)Cl(2)O(4) (-)·H(2)O, determined at 200?K, the 4,5-dichloro-phthalate anions are bridged by the water mol-ecule through O-H?O(carbox-yl) hydrogen bonds, giving zigzag chains which extend along the c-axis direction. The 4-methyl-pyridinium cations are linked to the chains through single N-H?O(water) hydrogen bonds and occupy the voids within the chains in the one-dimensional structure. The anions have the common 'planar' conformation with a short intra-molecular O-H?O(carbox-yl) hydrogen bond.

SUBMITTER: Smith G

PROVIDER: S-EPMC2979372 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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4-Methyl-pyridinium 2-carb-oxy-4,5-dichloro-benzoate monohydrate.

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

In the structure of the 1:1 proton-transfer compound of 4-methyl-pyridine (γ-picoline) with 4,5-dichloro-phthalic acid, C(6)H(8)N(+)·C(8)H(3)Cl(2)O(4) (-)·H(2)O, determined at 200 K, the 4,5-dichloro-phthalate anions are bridged by the water mol-ecule through O-H⋯O(carbox-yl) hydrogen bonds, giving zigzag chains which extend along the c-axis direction. The 4-methyl-pyridinium cations are linked to the chains through single N-H⋯O(water) hydrogen bonds and occupy the voids within the chains in the ...[more]

PMID: 21579358

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