RRI Banner

Synthesis and structure of benzyl 4-{[4-(hex­yl­oxy)benzo­yl]­­oxy}benzoate

Loading...
Thumbnail Image

Journal Title

Journal ISSN

Volume Title

Publisher

International Union of Crystallography

DOI

Abstract

In the title compound, C27H28O5, the aromatic ring of the 4-hexyl­oxybenzoyl moiety and the central benzoate ring are twisted relative to one another, subtending a dihedral angle of 39.7 (2)°. The pendant benzyl aromatic ring is nearly orthogonal to the central benzoate ring, forming a dihedral angle of 89.3 (2)°. The hex­yloxy chain adopts an extended, approximately all-anti conformation and two short intra­molecular C—H⋯O contacts are observed. In the extended structure, C—H⋯π inter­actions help to consolidate the packing. Hirshfeld surface analysis and the corresponding two-dimensional fingerprint plots indicate that H⋯H contacts constitute the largest contribution to the crystal surface, accounting for 55.4%, followed by C⋯H/H⋯C contacts (22.9%) and O⋯H/H⋯O contacts (16.3%).

Description

Open Access.

Citation

Acta Crystallographica, 2026, Vol. 82 (9), p1100-1103

Endorsement

Review

Supplemented By

Referenced By

Rights and licensing

© International Union of Crystallography