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Updated: Mar 31, 2026

Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
Pyrazinamide-IBr: an organic-inorganic hybrid crystal exhibiting giant optical anisotropy
Meng-Fan Duan1,2,3, Jiang-Gao Mao1,4,3, Bing-Ping Yang1,4,3
1State Key Laboratory of Functional Crystals and Devices, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002, P.R. China. ybp@fjirsm.ac.cn.
Abstract:
A novel organic-inorganic hybrid crystal, pyrazinamide-IBr (PZA-IBr, C5H5N3OIBr), was successfully synthesized using a facile in situ reduction method. PZA-IBr exhibits remarkable birefringence (Δnexp = 0.524 at 550 nm, Δncal = 0.760 at 550 nm), surpassing those of commercially available birefringent crystals. PZA-IBr also has a moderate band gap of 2.32 eV. Structural and theoretical analyses reveal that the large birefringence originates from both the planar π-conjugated PZA and linear IBr molecules and is enhanced by the N-I halogen bonds, N-H⋯O hydrogen bonds, and C-H⋯π interactions. This work demonstrates the effectiveness of combining a heterocyclic molecule with an interhalogen molecule to create high-performance birefringent crystals.
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