Title of article :
Crystal structure and Hirshfeld surface analysis of 2,5-dibromoterephthalic acid ethylene glycol monosolvate
Author/Authors :
Khotchasanthong, Kenika Materials and Textile Technology - Faculty of Science and Technology - Thammasat University, Thailand , Jittirattanakun, Siripak Division of Chemistry - Faculty of Science and Technology - Thammasat University - Khlong Luang, Thailand , Jiajaroen, Suwadee Division of Chemistry - Faculty of Science and Technology - Thammasat University - Khlong Luang, Thailand , Theppitak, Chatphorn Division of Chemistry - Faculty of Science and Technology - Thammasat University - Khlong Luang, Thailand , Chainok, Kittipong Materials and Textile Technology - Faculty of Science and Technology - Thammasat University, Thailand
Abstract :
The title compound, C8H4Br2O4C2H6O2, crystallizes with one-half of a 2,5-
dibromoterephthalic acid (H2Br2tp) molecule and one-half of an ethylene glycol
(EG) molecule in the the asymmetric unit. The whole molecules are generated
by application of inversion symmetry. The H2Br2tp molecule is not planar, with
the dibromobenzene ring system inclined by a dihedral angle of 18.62 (3) to the
carboxylic group. In the crystal, the H2Br2tp and EG molecules are linked into
sheets propagating parallel to (101) through O—HO hydrogen bonds,
thereby forming R4 4 (12) and R4 4 (28) graph-set motifs. BrO and weak –
stacking interactions are also observed. Hirshfeld surface analysis was used to
confirm the existence of these interactions.
Keywords :
crystal structure , halogen bonds , hydrogen bonds , solvate
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
