An exploration of O-H⋯O and C-H⋯π inter-actions in a long-chain-ester-substituted phenyl-phenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate

An understanding of the driving forces resulting in crystallization organogel formation is essential to the development of modern soft materials. In the mol-ecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phen-oxy]decanoate ( ), C H O , the aromatic rings of the biphenyl group...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-05, Vol.74 (Pt 5), p.594-599
Hauptverfasser: Geiger, David K, Geiger, H Cristina, Morell, Dominic L
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Sprache:eng
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Zusammenfassung:An understanding of the driving forces resulting in crystallization organogel formation is essential to the development of modern soft materials. In the mol-ecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phen-oxy]decanoate ( ), C H O , the aromatic rings of the biphenyl group are canted by 6.6 (2)° and the long-chain ester group has an extended conformation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along [10[Formula: see text]]. The chains are linked by C-H⋯O hydrogen bonds, forming layers parallel to the plane. The layers are linked by C-H⋯π inter-actions, forming a three-dimensional supra-molecular structure. The extended structure exhibits a lamellar sheet arrangement of mol-ecules stacking along the -axis direction. Each mol-ecule has six nearest neighbors and the seven-mol-ecule bundles stack to form a columnar superstructure. Inter-action energies within the bundles are dominated by dispersion forces, whereas inter-columnar inter-actions have a greater electrostatic component.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017016589