A comparative study on structure and conformation of three hydroxybenzylamine ligands |
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Authors: | SM Malathy Sony M Kuppayee MN Ponnuswamy J Manonmani M Kandaswamy Hoong-Kun Fun |
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Institution: | (1) Department of Inorganic Chemistry, University of Madras, Guindy Campus, Chennai, 600 025, India;(2) X-Ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM Penang, Malaysia |
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Abstract: | Structure and conformation of three tridentate ligands are determined. All these three compounds crystallize in different space groups, the details are as follows: Bis(3,5-dimethyl,2-hydroxy)-2 -hydroxy-5 -methoxy]benzylcyclohexylamine (DHBC): monoclinic I2/a (a = 17.691(1) Å, b = 9.707(1) Å, c = 24.235(2) Å, = 91.028(1)°); bis(3,5-dimethyl,2-hydroxy)-2 -hydroxy-5 -bromo]benzylcyclohexylamine (DHBrBC): tetragonal P41212 (a = b = 12.1138(1) Å, c = 28.485(1) Å) and bis(3,5-dimethyl,2-hydroxy)-2 -hydroxy-5 -bromo]benzylmethylamine (DHBrBM): triclinic
(a = 5.228(1), b = 12.364(1) Å, c = 13.234(1) Å, = 94.04(1)°, = 95.72(1),° = 95.90(1)°). The cyclohexane rings in DHBC and DHBrBC assume chair conformation. Both the phenyl rings are planar in all the molecules and orient at angles of 75.5(1)°, 62.2(1)°, and 53.9(2)°, respectively with each other. The bond angles around N atom show the sp3 character. Inter- and intramolecular O–H![sdot](/content/m4687k1m3814w2w2/xxlarge8901.gif) ![sdot](/content/m4687k1m3814w2w2/xxlarge8901.gif) N and O–H![sdot](/content/m4687k1m3814w2w2/xxlarge8901.gif) ![sdot](/content/m4687k1m3814w2w2/xxlarge8901.gif) O types of hydrogen bondings stabilize the molecules in the unit cell in addition to van der Waals forces. |
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Keywords: | Hydroxybenzylamine tridentate ligands crystal cyclohexane nitrogen hydrogen bondings |
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