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

Authors
  • Rivera, Augusto
  • Quiroga, Diego
  • Ríos-Motta, Jaime
  • Fejfarová, Karla
  • Dušek, Michal
Type
Published Article
Journal
Acta Crystallographica Section E Structure Reports Online
Publisher
International Union of Crystallography
Publication Date
Nov 01, 2011
Volume
67
Issue
Pt 11
Identifiers
DOI: 10.1107/S1600536811039559
PMID: 22219864
Source
Medline
License
Unknown

Abstract

The heterocyclic ring in the title compound, C(27)H(34)N(2)O(6), 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 mol-ecular conformation. The benzoate groups differ in the relative orientations of the ethyl groups, as quanti-fied by the values of the C-O-C-C torsion 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 inter-molecular C-H⋯O inter-actions.

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