Crystallographic, thermal, and solid-state photoluminescent investigations of a di-benzoate ester modified benzoxazine dimer derivative

Benzoxazine dimers are a group of compounds with a variety of properties, such as anticancer properties and good chelating behaviors. The modification of the benzoxazine dimers can be carried out on the OH groups as well as the benzene moiety. There are several works reported on the property adjustment involving the use of different substituent groups on the benzene ring. Only a few works described the properties and crystallographic studies of the OH-modified benzoxazine dimer. The repulsion forces between two bulky benzoyl groups push them to be more distant compared to the unmodified benzoxazine dimer. According to the crystallographic information, the C—H···O, C—H···π, and π···π interactions hold neighbor molecules together, which consequently stabilize the crystal structure. Thermal analyses (TGA and DSC) reveal that the synthesized benzoated benzoxazine dimer is stable up to 175 °C. Hirshfeld surface analysis confirmed the presence of the C—H···O and C—H···π interactions as seen from the high contributions of the following contacts: H···H (60.6