Citation: MA Yu-Heng, GE Shu-Wang, SHEN Ya, SUN Bai-Wang. Novel Perchlorate and Sulphate Salts of 2-Aminonicotinic Acid: Synthesis, Characterization, Thermal Studies and Hirshfeld Surface Analysis[J]. Chinese Journal of Structural Chemistry, ;2016, 35(1): 7-15. doi: 10.14102/j.cnki.0254-5861.2011-0684 shu

Novel Perchlorate and Sulphate Salts of 2-Aminonicotinic Acid: Synthesis, Characterization, Thermal Studies and Hirshfeld Surface Analysis

MA Yu-Heng ^a,b ,
GE Shu-Wang ^a,c ,
SHEN Ya ^d ,
SUN Bai-Wang ^a,,

1.
a School of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, China;
b Jiangsu Chia Tai Qingjiang Pharmaceutical Co.
b Jiangsu Chia Tai Qingjiang Pharmaceutical Co., Ltd.;
3.
c Department of Chemical and Pharmaceutical Engineering of Southeast University Chengxian College, Nanjing 210088, China;
4.
d High School Affiliated to Nanjing Normal University, Xincheng Junior School Yikangjie Campus, 210019, China

Corresponding author: SUN Bai-Wang,
Received Date: 12 February 2015
Available Online: 23 October 2015
Fund Project: This work was supported by the prospective joint research project of Jiangsu province (BY20122193) (BY20122193)the Fundamental Research Funds for the Central Universities (CXZZ12_0119) (CXZZ12_0119)

Since 2-aminonicotinic acid is a zwitterionic molecule, the salt or co-crystal strategy was used for the precipitation under identical conditions and obtained two novel salts: salt 1 with 2:1:2 stoichiometry of 2-aminonicotinic acid:perchloric acid: H₂O and salt 2 with 2:1:3 stoichiometry of 2-aminonicotinic acid: sulfuric acid: H₂O. Their crystal structures were characterized by single-crystal X-ray diffraction, differential scanning calorimetry (DSC) and thermogravimetric analyses (TGA). The structure determination shows that two salts are both primarily stabilized by the strong N-H…O hydrogen bonding interaction between 2-aminonicotinic acid and its corresponding acids. Constituents of the salt-crystalline phase were also investigated in terms of Hirshfeld surfaces. In the crystal lattice, a three-dimensional hydrogen-bonded network is observed, including the formation of a two-dimensional molecular scaffolding motif. Hirshfeld surfaces and fingerprint plots of two salts show that the structures are stabilized by H…H, O-H…O and C-O…π intermolecular interactions.
- 2-aminonicotinic acid,
- salt,
- X-ray diffraction,
- Hirshfeld surfaces
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