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An exploration of O—H⋯O and C—H⋯π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.
An exploration of O—H⋯O and C—H⋯π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate.
- Source :
-
Acta Crystallographica Section E: Crystallographic Communications . May2018, Vol. 74 Issue 5, p594-599. 12p. 4 Diagrams, 3 Charts, 1 Graph. - Publication Year :
- 2018
-
Abstract
- An understanding of the driving forces resulting in crystallization vs organogel formation is essential to the development of modern soft materials. In the mol­ecular structure of the title compound, methyl 10-[4-(4-hydroxyphenyl)phen­oxy]decanoate (MBO10Me), C23H30O4, 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, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains along [10...]. The chains are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π inter­actions, forming a three-dimensional supra­molecular structure. The extended structure exhibits a lamellar sheet arrangement of mol­ecules stacking along the b-axis direction. Each mol­ecule has six nearest neighbors and the seven-mol­ecule bundles stack to form a columnar superstructure. Inter­action energies within the bundles are dominated by dispersion forces, whereas inter­columnar inter­actions have a greater electrostatic component. [ABSTRACT FROM AUTHOR]
- Subjects :
- *MOLECULAR structure
*BIPHENYL compounds
*HYDROGEN bonding
Subjects
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 74
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- 129504845
- Full Text :
- https://doi.org/10.1107/S2056989017016589