2,10-Bis(3-bromophenyl)-3,7,11,15-tetraoxa-8,16-diazatricyclo[12.2.1.16,9]octadeca-1(16),6(18),8,14(17)-tetraene

Kwang Ha,Young Ju Lee,Sae Byul Park,Hyung Jin Kim

doi:10.1107/s1600536810028813

Abstract

The title compound, C24H20Br2N2O4, is an 18-membered tricycle including two isoxazole rings. The asymmetric unit contains one half of the formula unit; a centre of inversion is located at the centroid of the compound. The dihedral angle between adjacent isoxazole and benzene rings is 84.0 (2)°. The compound displays intra- and intermolecular π–π stacking interactions between the isoxazole rings, the shortest centroid–centroid distances being 3.837 (3) and 3.634 (3) Å, respectively. The molecules are stacked in columns along the a axis with short Br⋯Br contacts [3.508 (1) Å].

Highlights

The title compound, C24H20Br2N2O4, is an 18-membered tricycle including two isoxazole rings
The asymmetric unit contains one half of the formula unit; a centre of inversion is located at the centroid of the compound
The molecules are stacked in columns along the a axis with short Br Br contacts [3.508 (1) Å]

Summary

Introduction

Key indicators: single-crystal X-ray study; T = 200 K; mean (C–C) = 0.008 Å; R factor = 0.046; wR factor = 0.152; data-to-parameter ratio = 18.2. The title compound, C24H20Br2N2O4, is an 18-membered tricycle including two isoxazole rings. The dihedral angle between adjacent isoxazole and benzene rings is 84.0 (2) . The compound displays intra- and intermolecular – stacking interactions between the isoxazole rings, the shortest centroid–centroid distances being 3.837 (3) and 3.634 (3) Å, respectively.

Results

Conclusion