Crystal structure of 4-tert-butyl-2-{2-N-(3,3-dimethyl-2-oxobut#173;yl)-N-iso#173;propyl#173;carbamo#173;ylphen#173;yl}-1-isopropyl-1H-imidazol-3-ium perchlorate

Hordiyenko O.V.; Zubatyuk R.I.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 4-tert-butyl-2-{2-N-(3,3-dimethyl-2-oxobut#173;yl)-N-iso#173;propyl#173;carbamo#173;ylphen#173;yl}-1-isopropyl-1H-imidazol-3-ium perchlorate

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Crystal structure of 4-tert-butyl-2-{2-N-(3,3-dimethyl-2-oxobut#173;yl)-N-iso#173;propyl#173;carbamo#173;ylphen#173;yl}-1-isopropyl-1H-imidazol-3-ium perchlorate

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In the title salt, C26H40N3O2+#183;ClO4#8722;, the positive charge of the organic cation is delocalized between the two N atoms of the imidazole ring. The C#160;N bond distances are 1.338#8197;(2) and 1.327#8197;(3)#8197;#197;. The substituents on the benzene ring are rotated almost orthogonal with respect to this ring due to the presence of the bulky isopropyl substituents. The dihedral angle between the benzene and imidazole rings is 75.15#8197;(12)#176;. Three of the O atoms of the anion are disordered over two sets of sites due to rotation around one of the O#8212;Cl bonds. The ratio of the refined occupancies is 0.591#8197;(14):0.409#8197;(14). In the crystal, the cation and perchlorate anion are bound by an N#8212;H#8943;O hydrogen bond. In addition, the cation#8211;anion pairs are linked into layers parallel to (001) by multiple weak C#8212;H#8943;O hydrogen bonds.

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第2期|223-225|共3页
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Hordiyenko O.V.; Zubatyuk R.I.;
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Crystal structure of 4-tert-butyl-2-{2-N-(3,3-dimethyl-2-oxobut#173;yl)-N-iso#173;propyl#173;carbamo#173;ylphen#173;yl}-1-isopropyl-1H-imidazol-3-ium perchlorate

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