Molecular and crystal structure of the organic luminophor 2-(2-tosylaminophenyl)-6-bromo-4H-3,1-benzoxazin-4-one

Abstract

1. In the molecule of 2-(2-tosylaminophenyl)-6-bromo-4H-3,1-benzoxazin-4-one an important role is played by the N-H... H intramolecular H bond, which is capable of forming a single congated system from the coplanar benzoxazine and aminophenyl fragments with the Br acceptor atom and the NH donor group at its ends. This is favorable for intramolecular charge transfer. 2. Because of the steric hindrances caused by the aminophenyl ring, the SO2 group is arranged more symmetrically relative to the S-C bond than relative to the N-S bond. 3. The features of the molecular structure are realized in the packing of the molecules in stacks of charge-transfer self-complexes.