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

ABSTRACT: 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 ?-? stacking inter-actions are also observed. Hirshfeld surface analysis was used to confirm the existence of these inter-actions.

SUBMITTER: Khotchasanthong K

PROVIDER: S-EPMC6690441 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature

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

Khotchasanthong Kenika K Jittirattanakun Siripak S Jiajaroen Suwadee S Theppitak Chatphorn C Chainok Kittipong K

Acta crystallographica. Section E, Crystallographic communications 20190723 Pt 8

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 ...[more]

PMID: 31417797

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