Crystal structure of the di-Mannich base 4,4′-di­chloro-3,3′,5,5′-tetra­methyl-2,2′-[imidazolidine-1,3-diylbis(methyl­ene)]diphenol

Acta Crystallographica Section E: Crystallographic Communications

Bolte, M.²  Rivera, A.³  Nerio, L.S.⁵ 

[1] , Colombia;, Cra 30 No. 45-03, BogotáDepartamento de QuíInstitut fümica, Facultad de Ciencias, Universidad Nacional de Colombia, Sede Bogotár Anorganische Chemie, Goethe-Universität, Max-von-Laue-Strasse 7, Frankfurt/Main D-60438, Germany

关键词: CRYSTAL STRUCTURE;    IMIDAZOLIDINE;    DI-MANNICH BASE;    HYDROGEN BONDING;    SYN CONFORMATION;   

DOI  :  10.1107/S2056989015002212

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C21H26Cl2N2O2, was prepared in a solvent-free microwave-assisted synthesis, and crystallizes in the ortho­rhom­bic space group Pna21. The imidazolidine ring adopts an envelope conformation and its mean plane is almost perpendicular to the two pendant aromatic rings [dihedral angles = 84.61 (9) and 86.54 (9)°]. The mol­ecular structure shows the presence of two intra­molecular O—H⋯N hydrogen bonds between the phenolic hy­droxy groups and imidazolidine N atoms. The two 3-chloro-6-hy­droxy-2,4-di­methyl­benzyl groups are located in a cis orientation with respect to the imidazolidine fragment. As a result, the lone pairs of electrons on the N atoms are presumed to be disposed in a syn conformation. This is therefore the first example of an exception to the `rabbit-ears' effect in such 2,2′-[imidazolidine-1,3-diylbis(methyl­ene)]diphenol derivatives.

【 授权许可】

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