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

Acta Crystallographica Section E: Crystallographic Communications

Geiger, D.K.¹ 

[1] Department of Chemistry, SUNY-College at Geneseo, Geneseo, NY 14454, USA

关键词: CRYSTAL STRUCTURE;    HIRSHFELD SURFACE;    ENERGY FRAMEWORK;    INTERACTION ENERGY;    HYDROGEN BONDS;    C-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989017016589

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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\overline{3}]. 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.

【 授权许可】

CC BY