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  • Title: Hydrogen-bonding interactions in (3,4-dimethoxyphenyl)acetic acid monohydrate.
    Author: Hachuła B, Nowak M, Kusz J.
    Journal: Acta Crystallogr C; 2008 Jul; 64(Pt 7):o357-60. PubMed ID: 18599976.
    Abstract:
    The crystal structure of the title compound, C(10)H(12)O(4).H(2)O, consists of (3,4-dimethoxyphenyl)acetic acid and water molecules linked by O-H...O hydrogen bonds to form cyclic structures with graph-set motifs R(1)(2)(5) and R(4)(4)(12). These hydrogen-bond patterns result in a three-dimensional network with graph-set motifs R(4)(4)(20) and R(4)(4)(22), and the formation of larger macrocycles, respectively. The C-C bond lengths and the endocyclic angles of the benzene ring show a noticeable asymmetry, which is connected with the charge-transfer interaction of the carboxyl or methoxy groups and the benzene ring. The title compound is one of the simple carboxylic acid systems that form hydrates. Thus, the significance of this study lies in the analysis of the interactions in this structure and the aggregations occurring via hydrogen bonds in two crystalline forms of (3,4-dimethoxyphenyl)acetic acid, namely the present hydrate and the anhydrous form [Chopra, Choudhury & Guru Row (2003). Acta Cryst. E59, o433-o434]. The correlation between the IR spectrum of this compound and its structural data are also discussed.
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