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4,4'-Dibromo-2,2'-{[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methyl-idene)}diphenol.

ABSTRACT: The cyclo-hexane ring in the title compound, C(21)H(24)Br(2)N(2)O(2), adopts a chair conformation and the five-membered ring to which it is fused has a twisted envelope conformation. The asymmetric unit contains one half-mol-ecule, which is related to the other half by a twofold rotation axis. The two N atoms of the five-membered ring are linked to the hy-droxy groups by intra-molecular O-H?N hydrogen bonds. In the crystal, inter-molecular C-H?O and C-H?? inter-actions occur.

SUBMITTER: Rivera A

PROVIDER: S-EPMC3099886 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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4,4'-Dibromo-2,2'-{[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methyl-idene)}diphenol.

Rivera Augusto A Quiroga Diego D Ríos-Motta Jaime J Dušek Michal M Fejfarová Karla K

Acta crystallographica. Section E, Structure reports online 20110302 Pt 4

The cyclo-hexane ring in the title compound, C(21)H(24)Br(2)N(2)O(2), adopts a chair conformation and the five-membered ring to which it is fused has a twisted envelope conformation. The asymmetric unit contains one half-mol-ecule, which is related to the other half by a twofold rotation axis. The two N atoms of the five-membered ring are linked to the hy-droxy groups by intra-molecular O-H⋯N hydrogen bonds. In the crystal, inter-molecular C-H⋯O and C-H⋯π inter-actions occur. ...[more]

PMID: 21754050

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4,4'-Dichloro-2,2'-[(3aR,7aR/3aS,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]diphenol.

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meso-4,4'-Dimeth-oxy-2,2'-{[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-benz-imidazole-1,3-di-yl]bis-(methyl-ene)}diphenol.

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Project description:In the title compound, C(29)H(42)N(2)O(2), the heterocyclic ring has a twist conformation. The cyclohexane ring adopts a chair conformation. The dihedral angle between the aromatic rings is 32.74?(6)°. The mol-ecular conformation is stabilized by two intramolecular O-H?N hydrogen bonds with graph-set motif S(6). The crystal packing is stabilized by C-H?O and C-H?? inter-actions.

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Dimethyl 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.

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