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

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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 stoi- chiometry 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.

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	马玉恒
	葛书旺
	沈亚
	孙柏旺

关键词 ： 2-aminonicotinic acid, salt, X-ray diffraction, Hirshfeld surfaces

Abstract：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 stoi- chiometry 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.

Key words： 2-aminonicotinic acid salt X-ray diffraction Hirshfeld surfaces

收稿日期: 2015-02-14 出版日期: 2016-01-11

基金资助:This work was supported by the prospective joint research project of Jiangsu province (BY20122193)
and the Fundamental Research Funds for the Central Universities (CXZZ12_0119)

通讯作者: chmsunbw@seu.edu.cn E-mail: chmsunbw@seu.edu.cn

引用本文:

马玉恒;葛书旺;沈亚;孙柏旺. Novel Perchlorate and Sulphate Salts of 2-Aminonicotinic Acid: Synthesis, Characterization, Thermal Studies and Hirshfeld Surface Analysis[J]. 结构化学, 2016, 35(1): 7-15.
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. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2016, 35(1): 7-15.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2016/V35/I1/7

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