Crystal structure of [2-(triethylammonio)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]amide tetrahydrate

Abstract

The zwitterionic title compound, C23H42N2O2S·4H2O, crystallized as a tetrahydrate from a solution of N-[(2,4,6-triisopropylphenyl)sulfonyl]aziridine in triethylamine, diethyl ether and pentane in the presence of moist air. It is formed by a nucleophillic ring-opening that is assumed to be reversible. The molecular structure shows a major disorder of the triisopropylphenyl group over two equally occupied locations. An interesting feature is the uncommon hydrate structure, exhibiting a tape-like motif which can be classified as a transition of the one-dimensional T4(2)6(2) motif into the two-dimensional L4(6)5(7)6(8) motif.

Keywords

• crystal structure
• zwitterion
• hydrate
• tape-like motif
• hydrogen bonding