Citation: Wen-Xu ZHENG, Tao LI, Zheng XIANG, Chang-Cang HUANG. Cytosinium Isophthalate: Crystal Structure Redetermination and Room Temperature Phosphorescence[J]. Chinese Journal of Structural Chemistry, ;2020, 39(9): 1707-1713. doi: 10.14102/j.cnki.0254-5861.2011-2647 shu

Cytosinium Isophthalate: Crystal Structure Redetermination and Room Temperature Phosphorescence

College of Chemistry, Fuzhou University, Fuzhou 350108, China

Corresponding author: Chang-Cang HUANG, cchuang@fzu.edu.cn
Received Date: 24 October 2019
Accepted Date: 19 January 2020

Fund Project: the Natural Science Foundation of Fujian Province 2018J01688

Figures(8)

The title compound cytosinium isophthalate (C-H₂IA) self-assembly of cytosine (C) and isophthalic acid (H₂IA) in aqueous media has been synthesized and the crystal structure with a reasonable protonation state is redetermined. Single-crystal X-ray diffraction analysis reveals that each asymmetric unit contains one protoned cytosine molecule and one deprotoned isophthalic acid. The proton transferred from carboxylic acid to the pyrimidine ring is disordered across an inversion center with occupancy of 0.5 and the proton located to one of the carboxylate group lies on an inversion center shared by two crystallographically equivalent oxygen atoms. In addition, the cytosine molecules are connected by complementary hydrogen bonds to form a one-dimensional tape structure. The neighboring isophthalic acids are connected via hydrogen bonds between carboxyl groups to form a one-dimensional lattice like tape. Furthermore, the adjacent organic base tapes and organic acid tapes are stacked one with another through π-π stacking interactions to form a three-dimensional supramolecular structure. Interestingly, C-H₂IA displays a green phosphorescence in solid state at room temperature with the lifetime of 0.7 s determined by time resolved studies, indicating that supramolecular C-H₂IA is a potential pure organic phosphorescent luminogens.
- cytosinium isophthalate,
- crystal structure redetermination,
- room temperature phosphorescence,
- supramolecular framework
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