Supramolecular self-assembly of a new multi-conformational Schiff base through hydrogen bonds: Crystal structure, spectroscopic and theoretical investigation

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• 作者：Mariana Rocha^a ; A. Di Santo^a ; G.A. Echeverr&iacute ; a^b ; ¹ ; O.E. Piro^b ; ¹ ; F.D. Cukiernik^c ; ¹ ; S.E. Ulic^d ; ^e ; ¹ ; ^{sonia@quimica.unlp.edu.ar} ; Diego M. Gil^a ; ¹ ; ^{dmgil@fbqf.unt.edu.ar}
• 关键词：Schiff bases ; Crystal structure ; Quantum chemical calculations ; IR and Raman spectroscopy ; Hirshfeld surface analysis ; Mesomorphic properties
• 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：24-36
• 全文大小：2076 K
• 卷排序：1133

文摘

The crystal structure of a Schiff base was solved by single-crystal XRD methods. The substance crystallizes in the triclinic space group with Z = 8. The vibrational behaviour was evaluated using IR and Raman spectroscopy. A mesomorphic behaviour was observed in this unsymmetrical azomethine. Hirshfeld surface analysis was used to evaluate intermolecular contacts.