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

作　　者：马玉恒 葛书旺 沈亚 孙柏旺 

机构地区：[1]School of Chemistry and Chemical Engineering,Southeast University [2]Jiangsu Chia Tai Qingjiang Pharmaceutical Co.,Ltd. [3]Department of Chemical and Pharmaceutical Engineering of Southeast University Chengxian College [4]High School Affiliated to Nanjing Normal University,Xincheng Junior School Yikangjie Campus

出　　处：《Chinese Journal of Structural Chemistry》2016年第1期7-15,共9页结构化学（英文）

基　　金：supported by the prospective joint research project of Jiangsu province(BY20122193);the Fundamental Research Funds for the Central Universities(CXZZ12_0119)

摘　　要：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.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.

关 键 词：2-aminonicotinic acid salt X-ray diffraction Hirshfeld surfaces 

分 类 号：O641[理学—物理化学]