De Silva, Viraj; Averkiev, Boris B.; Sinha, Abhijeet S.; Aakeroy, Christer B. published an article in 2021. The article was titled 《The Balance between Hydrogen Bonds, Halogen Bonds, and Chalcogen Bonds in the Crystal Structures of a Series of 1,3,4-Chalcogenadiazoles》, and you may find the article in Molecules.Formula: C7H5BrO2 The information in the text is summarized as follows:
In order to explore how specific atom-to-atom replacements change the electrostatic potentials on 1,3,4-chalcogenadiazole derivatives, and to deliberately alter the balance between intermol. interactions, four target mols. were synthesized and characterized. DFT calculations indicated that the atom-to-atom substitution of Br with I, and S with Se enhanced the σ-hole potentials, thus increasing the structure directing ability of halogen bonds and chalcogen bonds as compared to intermol. hydrogen bonding. The delicate balance between these intermol. forces was further underlined by the formation of two polymorphs of 5-(4-iodophenyl)-1,3,4-thiadiazol-2-amine; Form I displayed all three interactions while Form II only showed hydrogen and chalcogen bonding. The results emphasize that the deliberate alterations of the electrostatic potential on polarizable atoms can cause specific and deliberate changes to the main synthons and subsequent assemblies in the structures of this family of compounds After reading the article, we found that the author used 4-Bromobenzoic acid(cas: 586-76-5Formula: C7H5BrO2)
4-Bromobenzoic acid(cas: 586-76-5) has been used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography.Formula: C7H5BrO2 It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary