Synthesis and crystal structure analysis of substituted 2-(3-(hydroxymethyl)quinolin-2-yl)phenol derivatives

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• 作者：D. Rambabu^a ; ^b ; G. Rama Krishna^c ; Srinivas Basavoju^d ; M.V. Basaveswara Rao^e ; C. Malla Reddy^c ; Manojit Pal^a ; ^{manojitpal@rediffmail.com}
• 关键词：2-(3-(Hydroxymethyl)quinolin-2-yl)phenol derivatives ; Spectroscopic characterization ; Single crystal X-ray diffraction ; Supramolecular interactions ; Conformational isomers ; Helical structure
• 刊名：Journal of Molecular Structure
• 出版年：2012
• 期刊代码：62_00222860
• 类别：ch
• 出版时间：30 May, 2012
• 卷：1016
• 期：Complete
• 页码：126-133
• 文件大小：1889 K

摘要

Two novel quinoline derivatives e.g. 2-(3-(hydroxymethyl)-7-methylquinolin-2-yl)phenol (1) and 2-(3-(hydroxymethyl)-6-methoxyquinolin-2-yl)phenol (2) were synthesized. These compounds were characterized by IR, ¹H NMR and mass spectroscopy. Thermal analyses (DSC and TGA) and PXRD patterns were collected for the supporting data. Finally the crystal structures were solved by single crystal X-ray diffraction data and the structures were analyzed in terms of supramolecular interactions. Compound 1 consists of two symmetry independent molecules in the asymmetric unit. These two molecules are conformational isomers (A and B) and form different hydrogen bonding in the crystal structure. The Hirshfeld surfaces and associated 2D fingerprint plots were analyzed to differentiate the two conformers (A and B). Compound 2 form a helical structure with O-H鈰疧 and O-H鈰疦 hydrogen bond synthons along the c-axis.