2-Methyl-3-[(4-methylphenyl)sulfonyloxy]-2-{[(4-methylphenyl)sulfonyloxy]methyl}propyl 4-methylbenzenesulfonate

Nassir N Al-Mohammed,Yatimah Alias,Zanariah Abdullah,Siti Nadiah Abd Halim,Edward R T Tiekink,Raied M Shakir

doi:10.1107/s1600536811024664

Abstract

The title molecule, C26H30O9S3, adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32 (10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28 (10) and 78.81 (7)°]. The crystal packing is dominated by C—H⋯O contacts and π–π interactions [ring centroid distance = 3.6902 (12) Å].

Highlights

The title molecule, C26H30O9S3, adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32 (10) ] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position midway and face-on to these rings [dihedral angles = 82.28 (10)
For the use of molecules related to the title compound as synthetic precursors, see: Laliberte et al (2003); Fujihara et al
The third benzene ring lies approximately half-way between these rings and is face-on to each, forming dihedral angles of 82.28 (10) (S1) and 78.81 (7) °, respectively

Summary

Bruker SMART APEX diffractometer

R factor = 0.038; wR factor = 0.117; data-to-parameter ratio = 18.2. Hydrogen-bond geometry (Å, ). The title molecule, C26H30O9S3, adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32 (10) ] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position midway and face-on to these rings [dihedral angles = 82.28 (10) 3.6902 (12) Å].

Related literature

Crystal data

Special details