5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.04,32.06,30.09,14.022,27.035,40]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate

Abstract

In the title compound, C40H40N2O10·H2O, each dual 17-crown-5 unit crystallizes with one solvent water molecule. The crown units are connected by a pyrazine ring. One oxo group in a crown moiety is disordered over two sites, with a refined occupancy ratio close to 1:1. The water molecule is linked to the crown unit by bifurcated O—H...O hydrogen bonds. In the crystal, molecules are linked by weak C—H...N and C—H...O interactions for the packing.

Keywords

• crystal structure
• biscrown ether
• pyrazine
• hydrate
• hydrogen bonds