Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobut­yl)-N-iso­propyl­carbamo­yl]phen­yl}-1-isopropyl-1H-imidazol-3-ium perchlorate

Acta Crystallographica Section E: Crystallographic Communications

Zubatyuk, R.I.¹  Hordiyenko, O.V.² 

[1] SSI Institute for Single Crystals NAS of Ukraine, 60 Lenin ave., Kharkiv 61001, Ukraine;Taras Shevchenko National University of Kyiv, Department of Chemistry, 64/13 Volodymyrska str., Kyiv 01601, Ukraine

关键词: CRYSTAL STRUCTURE;    [ALPHA]-ACYLAMINO KETONE;    PERCHLORATE;    DISORDER;   

DOI  :  10.1107/S2056989015001486

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title salt, C26H40N3O2+·ClO4−, the positive charge of the organic cation is delocalized between the two N atoms of the imidazole ring. The C N bond distances are 1.338 (2) and 1.327 (3) Å. 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 (12)°. Three of the O atoms of the anion are disordered over two sets of sites due to rotation around one of the O—Cl bonds. The ratio of the refined occupancies is 0.591 (14):0.409 (14). In the crystal, the cation and perchlorate anion are bound by an N—H⋯O hydrogen bond. In addition, the cation–anion pairs are linked into layers parallel to (001) by multiple weak C—H⋯O hydrogen bonds.

【 授权许可】

CC BY