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

0365715 - FZÚ 2012 RIV DK eng J - Článek v odborném periodiku
Rivera, A. - Quiroga, D. - Ríos-Motta, J. - Fejfarová, Karla - Dušek, Michal
Dimethyl 4,4´-dihydroxy-3,3´-{[(3aRS,7aRS )-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl] bis(methylene)}dibenzoate.
Acta Crystallographica Section E-Structure Reports Online. Roč. 67, Part 11 (2011), o2911-U276. ISSN 1600-5368. E-ISSN 2056-9890
Grant ostatní: AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Výzkumný záměr: CEZ:AV0Z10100521
Klíčová slova: Mannich bases * crystal structure * X-ray diffraction * Jana2006
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 0.347, rok: 2011

The title compound, 25CH30N2O6, has the imidazolidine ring in an envelope conformation. There are two intramolecular O-H...N hydrogen-bond interactions with graph-set motif S(6). The cyclohexane ring adopts a slightly distorted chair conformation. One methyl carboxylate substituent forms a dihedral angle of 12.00 (5)° with the plane of the benzene ring, while the other methyl carboxylate group is almost coplanar, making a dihedral angle of 2.26 (9)°. In the crystal, pairs of intermolecular C-H...O hydrogen bonds form racemic dimers. Further weak C-H...O interactions generate a chain running along the c axis.
Trvalý link: http://hdl.handle.net/11104/0200889