Di-n-propyl 4,4'-dihy-droxy-3,3'-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-benzimidazole-1,3-di-yl]bis-(methyl-ene)}dibenzoate.

ABSTRACT: The title compound, C(29)H(38)N(2)O(6), was prepared as model for studying intra-molecular hydrogen-bonding inter-actions. Mol-ecules of the title compound are located on a crystallographic twofold rotation axis, which passes through the C atom linked to the two N atoms on the imidazolidine ring. The mol-ecular structure shows the existence of two intra-molecular O-H⋯N hydrogen-bonding inter-actions between the two N atoms of the imidazolidine moiety and the hy-droxy groups in the aromatic rings. The crystal structure shows the strain of ring fusion in the perhydro-benzimidazole moiety according to the endocyclic bond angles and the torsion angles, which evidence a puckering of the cyclo-hexane ring with respect to normal tetra-hedral bond angles in an ideal chair conformation.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC3201437 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature