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4-Chloro-anilinium 2-carb-oxy-4,5-dichloro-benzoate.

ABSTRACT: The structure of the 1:1 proton-transfer compound of 4-chloro-aniline with 4,5-dichloro-phthalic acid (DCPA), viz. C(6)H(7)ClN(+)·C(8)H(3)Cl(2)O(4) (-), has been determined at 130?K. The non-planar hydrogen phthalate anions and the 4-chloro-anilinium cations form two-dimensional O-H?O and N-H?O hydrogen-bonded substructures which have no peripheral extension. Between the sheets there are weak ?-? associations between alternating cation-anion aromatic ring systems [shortest centroid-centroid separation = 3.735?(4)?Å].

SUBMITTER: Smith G

PROVIDER: S-EPMC2970019 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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4-Chloro-anilinium 2-carb-oxy-4,5-dichloro-benzoate.

Smith Graham G Wermuth Urs D UD White Jonathan M JM

Acta crystallographica. Section E, Structure reports online 20090808 Pt 9

The structure of the 1:1 proton-transfer compound of 4-chloro-aniline with 4,5-dichloro-phthalic acid (DCPA), viz. C(6)H(7)ClN(+)·C(8)H(3)Cl(2)O(4) (-), has been determined at 130 K. The non-planar hydrogen phthalate anions and the 4-chloro-anilinium cations form two-dimensional O-H⋯O and N-H⋯O hydrogen-bonded substructures which have no peripheral extension. Between the sheets there are weak π-π associations between alternating cation-anion aromatic ring systems [shortest centroid-centroid sepa ...[more]

PMID: 21577526

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