Synthesis and comprehensive structural studies of a novel amide based carboxylic acid derivative: Non-covalent interactions

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• 作者：Mohammad Chahkandip>ap>p> ; p>p>m.chahkandi@hsu.ac.irp>p> ; p>p>chahkandimohammad@gmail.comp> ; Moazzam H. Bhattip>bp>p> ; p>p>moazzamhussain_b@yahoo.comp> ; Uzma Yunusp>bp> ; Shahida Shaheenp>bp> ; Muhammad Nadeemp>bp> ; Muhammad Nawaz Tahirp>cp>
• 关键词：N&ndash ; [(4&ndash ; chlorophenyl)]&ndash ; 4&ndash ; oxo&ndash ; 4&ndash ; [oxy] butane amide ; Binding energy of non&minus ; covalent interaction ; DFT&minus ; D ; Electronic transition
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 April 2017
• 年：2017
• 卷：1133
• 期：Complete
• 页码：499-509
• 全文大小：1926 K
• 卷排序：1133

文摘

Synthesis of a novel amide based carboxylic acid derivative, C10H10NO3Cl (1). Structural characterization by X-ray diffraction, and others spectroscopies. Study of the constructive non–covalent interactions by DFT–D calculations. The network stabilized by O/NH⋯O, CH⋯O, OH···π, and CO···π contacts.