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Crystal structure and Hirshfeld surface analysis of 2,5-dibromoterephthalic acid ethylene glycol monosolvate
The title compound, C(8)H(4)Br(2)O(4)·C(2)H(6)O(2), crystallizes with one-half of a 2,5-dibromoterephthalic acid (H(2)Br(2)tp) 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 H(2)B...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690441/ https://www.ncbi.nlm.nih.gov/pubmed/31417797 http://dx.doi.org/10.1107/S2056989019010260 |
Sumario: | The title compound, C(8)H(4)Br(2)O(4)·C(2)H(6)O(2), crystallizes with one-half of a 2,5-dibromoterephthalic acid (H(2)Br(2)tp) 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 H(2)Br(2)tp 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 H(2)Br(2)tp and EG molecules are linked into sheets propagating parallel to ([Image: see text]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 interactions are also observed. Hirshfeld surface analysis was used to confirm the existence of these interactions. |
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