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Crystal structure and Hirshfeld surface analysis of 2,5-di-bromo-terephthalic acid ethyl-ene glycol monosolvate.

Kenika KhotchasanthongSiripak JittirattanakunSuwadee JiajaroenChatphorn TheppitakKittipong Chainok
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
The title compound, C8H4Br2O4·C2H6O2, crystallizes with one-half of a 2,5-di-bromo-terephthalic acid (H2Br2tp) mol-ecule and one-half of an ethyl-ene glycol (EG) mol-ecule in the the asymmetric unit. The whole mol-ecules are generated by application of inversion symmetry. The H2Br2tp mol-ecule is not planar, with the di-bromo-benzene ring system inclined by a dihedral angle of 18.62 (3)° to the carb-oxy-lic group. In the crystal, the H2Br2tp and EG mol-ecules are linked into sheets propagating parallel to (01) through O-H⋯O hydrogen bonds, thereby forming R 4 4 (12) and R 4 4 (28) graph-set motifs. Br⋯O and weak π-π stacking inter-actions are also observed. Hirshfeld surface analysis was used to confirm the existence of these inter-actions.
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