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3-Carb-oxy-phenyl-boronic Acid-Theophylline (1/1)

Ventsi Dyulgerov, Rositsa P Nikolova, Louiza T Dimova, Boris L Shivachev

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2320.

PMID: 22904793

Abstract:

The title two-component mol-ecular crystal [systematic name: 3-(dihy-droxy-boran-yl)benzoic acid-1,3-dimethyl-7H-purine-2,6-dione (1/1)], C(7)H(7)BO(4)·C(7)H(8)N(4)O(2), comprises theophylline and 3-carb-oxy-phenyl-boronic acid mol-ecules in a 1:1 molar ratio. In the crystal, mol-ecules 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 inter-actions.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
LS793857 [4-(1-Piperidin-1-ylethyl)phenyl]boronic acid [4-(1-Piperidin-1-ylethyl)phenyl]boronic acid Price
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