1.
Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 8): o2320, 2012 Aug 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-22904793
RESUMO
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-Hâ¯O and N-Hâ¯N hydrogen bonds, generating layers parallel to (-209). The layers are stacked through π-π [centroid-centroid distance = 3.546â (2)â Å] and C-Hâ¯π inter-actions.