Diffractaic acid: Crystalline structure and physicochemical characterization
| Autor: | Yara Santiago de Oliveira, Alejandro Ayala, Beatriz Pinheiro Bezerra, Nereide S. Santos-Magalhães, Javier Ellena, Camilla V.N.S. Silva, Neli Kika Honda, Noemia Pereira da Silva Santos, Jéssica de Castro Fonseca |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Models
Molecular Infrared spectroscopy 02 engineering and technology Crystal structure Anisoles Crystallography X-Ray 010402 general chemistry 01 natural sciences Analytical Chemistry law.invention Crystal law Hydroxybenzoates Solubility Crystallization Thermal analysis Instrumentation Spectroscopy Chemistry CRISTALOGRAFIA DE RAIOS X 021001 nanoscience & nanotechnology Atomic and Molecular Physics and Optics 0104 chemical sciences Crystallography 0210 nano-technology Single crystal Monoclinic crystal system |
| Zdroj: | Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual) Universidade de São Paulo (USP) instacron:USP |
| ISSN: | 1386-1425 |
| Popis: | Diffractaic acid (DA) is a secondary metabolite of lichens that belongs to the chemical class of depsides, and some relevant pharmacological properties are associated with this natural product, such as antioxidant, antiulcerogenic and gastroprotective effects. Considering the relevant biological activities and taking into account that the activities are intrinsically related to the structure, the main goal of this study was to elucidate the structure of diffractaic acid by single crystal X-ray diffraction as well to characterize its physicochemical properties by powder X-ray diffraction, thermal analysis and vibrational spectroscopy. It was observed that DA belongs to the monoclinic crystal system, crystallizing in the space group P21/c with the following cell parameters: a = 18.535(7) A, b = 4.0439(18) A, c = 23.964(6) A, β = 91.55(3)°. The crystal packing is characterized by difractaic acid dimers, which are reflected in the vibrational spectrum. These observations were supported by quantum mechanical calculations. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect