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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, C<sub>8</sub>H<sub>4</sub>Br<sub>2</sub>O<sub>4</sub>·C<sub>2</sub>H<sub>6</sub>O<sub>2</sub>, crystallizes with one-half of a 2,5-di-bromo-terephthalic acid (H<sub>2</sub>Br<sub>2</sub>tp) 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 H<sub>2</sub>Br<sub>2</sub>tp mol-ecule is not planar, with the di-bromo-benzene ring system inclined by a dihedral angle of  ...[more]

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