Di-n-propyl 4,4´-dihydroxy-3,3´- {[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octahydro- 1H-benzimidazole-1,3-diyl]- bis(methylene)}dibenzoate

0365717 - FZÚ 2012 RIV DK eng J - Článek v odborném periodiku
Rivera, A. - Quiroga, D. - Ríos-Motta, J. - Fejfarová, Karla - Dušek, Michal
Di-n-propyl 4,4´-dihydroxy-3,3´- {[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octahydro- 1H-benzimidazole-1,3-diyl]- bis(methylene)}dibenzoate.
Acta Crystallographica Section E-Structure Reports Online. Roč. 67, Part 10 (2011), o2627 - o2628/sup7. ISSN 1600-5368. E-ISSN 2056-9890
Grant ostatní: AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Výzkumný záměr: CEZ:AV0Z10100521
Klíčová slova: crystal structure * hydrogen bonds
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 0.347, rok: 2011

The title compound, C29H38N2O6, was prepared as model for studying intramolecular hydrogen-bonding interactions. Its crystal structure reveals the existence of two intramolecular O-H...N hydrogen-bonding interactions between the two N atoms of the imidazolidine moiety and the hydroxy groups in the aromatic rings. The crystal structure shows the strain of ring fusion in the perhydrobenzimidazole moiety according to the endocyclic bond angles and the torsion angles, which evidence a puckering of the cyclohexane ring with respect to normal tetrahedral bond angles in an ideal chair conformation.
Trvalý link: http://hdl.handle.net/11104/0200891