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Novel Perchlorate and Sulphate Salts of 2-Aminonicotinic Acid:Synthesis,Characterization,Thermal Studies and Hirshfeld Surface Analysis 被引量:1

Novel Perchlorate and Sulphate Salts of 2-Aminonicotinic Acid:Synthesis,Characterization,Thermal Studies and Hirshfeld Surface Analysis
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 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)
关键词 2-aminonicotinic acid salt X-ray diffraction Hirshfeld surfaces 2-aminonicotinic acid salt X-ray diffraction Hirshfeld surfaces
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