School of Chemistry - Research Publications

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Start date: 2008 × End date: 2009 × Author: White, Jonathan ×

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    4-Chloroanilinium 2-carboxy-4,5-dichlorobenzoate
    Smith, G ; Wermuth, UD ; White, JM (WILEY-BLACKWELL, 2009-09-01)
    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 separation = 3.735 (4) Å].
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    1,10-Phenanthrolin-1-ium 2-carboxy-4,5-dichlorobenzoate
    Smith, G ; Wermuth, UD ; White, JM (WILEY-BLACKWELL, 2009-10-01)
    In the structure of the 1:1 proton-transfer compound of 1,10-phenanthroline with 4,5-dichloro-phthalic acid, C(12)H(9)N(2) (+)·C(8)H(3)Cl(2)O(4) (-), determined at 130 K, the 1,10-phenanthrolinium cation and the hydrogen 4,5-dichloro-phthalate anion associate through a single N-H⋯O(carbox-yl) hydrogen bond giving discrete units which have no extension except through a number of weak cation C-H⋯O(anion) associations and weak cation-anion aromatic ring π-π inter-actions [minimum centroid-centroid separation = 3.6815 (12) Å]. The anions are essentially planar "[maximum deviation 0.214 (1) Å (a carboxyl O)] with the syn-related H atom of the carboxyl group, forming a short intra-molecular O-H⋯O(carbox-yl) hydrogen bond.
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    2-carboxyquinolinium-2,4,6-trinitro-benzenesulfonate -quinolinium-2-carboxylate (1/1/1)
    Smith, G ; Wermuth, UD ; White, JM (BLACKWELL PUBLISHING, 2008-01-01)
    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].