Research Article: 3-Carb­oxy­phenyl­boronic acid–theophylline (1/1)

Date Published: August 01, 2012

Publisher: International Union of Crystallography

Author(s): Ventsi Dyulgerov, Rositsa P. Nikolova, Louiza T. Dimova, Boris L. Shivachev.

http://doi.org/10.1107/S1600536812029467

Abstract

The title two-component mol­ecular crystal [systematic name: 3-(dihy­droxy­boran­yl)benzoic acid–1,3-dimethyl-7H-purine-2,6-dione (1/1)], C7H7BO4·C7H8N4O2, comprises theophylline and 3-carb­oxy­phenyl­boronic acid mol­ecules in a 1:1 molar ratio. In the crystal, mol­ecules are self-assembled by O—H⋯O and N—H⋯N hydrogen bonds, generating layers parallel to (-209). The layers are stacked through π–π [centroid–centroid distance = 3.546 (2) Å] and C—H⋯π inter­actions.

Partial Text

For background to theophylline and boronic acids, see: Barnes (2003 ▶); Brittain (1999 ▶).

Source:

http://doi.org/10.1107/S1600536812029467