Research Article: 17,18-Dibromo-8-methyl-4,12-ditosyl-3,4,5,6,7,8,9,10,11,12,13,14-dodeca­hydro-2H-benzo[b][1,4,7,11,15]dioxatriaza­cyclo­hepta­decine

Date Published: May 01, 2010

Publisher: International Union of Crystallography

Author(s): Zeynep Keleşoğlu, Elif Çelenk Kaya, Halit Kantekin, Orhan Büyükgüngör.


In the title compound, C31H39Br2N3O6S2, a 17-membered aza-macrocyclic ligand containing two ether O and three aza N atoms, the three pendant aromatic rings form an ‘E’ shape. The dihedral angles between the central benzene ring and the side ones are 17.8 (3) and 7.4 (3)°, and the dihedral angle between the tosyl rings is 10.6 (3)°. The methyl group is disordered over two orientations, with occupancies of 0.52 (15) and 0.48 (15).

Partial Text

For general background to aza-macrocyclic ligands, see: Fry et al. (1997 ▶); Xu et al. (1997 ▶); Canales et al. (2000 ▶); Shishkina et al. (2007 ▶). For related structures, see: Hökelek et al. (2001 ▶, 2004 ▶); Işik et al. (1999 ▶). For further synthetic details, see: Notni et al. (2006 ▶); Koçak et al. (1994 ▶).




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