Diethyl 4,4′-dihydroxy-3,3′-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a- octahydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methylene)}dibenzoate

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Abstract

The heterocyclic ring in the title compound, C27H 34N2O6, has an envelope conformation on one of the bridgehead C atoms [Q(2) = 0.4487 (19) Å and φ = 291.3 (2)°]. Two strong intra-molecular O - H⋯N hydrogen bonds stabilize the molecular conformation. The benzoate groups differ in the relative orientations of the ethyl groups, as quanti-fied by the values of the C - O - C - Ctorsion angles of -86.5 (2) and -178.97 (17)°. The carbonyl groups are nearly coplanar with the benzene rings, forming C - C - C - O torsion angles of 0.9 (3) and 3.4 (3)°. The crystal structure is stabilized by weak intermolecular C - H⋯O interactions. © Rivera et al. 2011.

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Rivera, A., Quiroga, D., Ríos-Motta, J., Fejfarová, K., & Dušek, M. (2011). Diethyl 4,4′-dihydroxy-3,3′-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a- octahydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methylene)}dibenzoate. Acta Crystallographica Section E: Structure Reports Online, 67(11). https://doi.org/10.1107/S1600536811039559

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