A β-sheet structure formed by C–H⋯O hydrogen bonds between the thia­zole rings and amide bonds of a dimeric desoxazoline ascidiacycl­amide analogue

A dimeric analogue of desoxazoline ascidiacycl­amide was synthesized to increase the conformational flexibility of the mol­ecule. The overall structure of this compound, C₇₂H₁₁₂N₁₆O₁₆S₄·3C₃H₇NO·H₂O, was relatively flat and was classified neither as the folded nor squared form, which have been observed in ascidiacycl­amide analogues. Rather, a unique β-sheet was formed in the 48-membered ring with pseudo-twofold symmetry. This was stabilized by hydrogen bonds including C—H⋯O interactions between thia­zole and carbonyl O atoms. This is the first structure of an ascidiacycl­amide analogue to exhibit a flat conformation composed of a β-sheet.