Literature DB >> 22058934

Di-n-butyl 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.

Augusto Rivera, Diego Quiroga, Jaime Ríos-Motta, Karla Fejfarová, Michal Dušek.   

Abstract

The complete molecule of the title compound, C(31)H(42)N(2)O(6), is generated by crystallographic twofold symmetry, with one C atom lying on the axis. The dihedral angle between the aromatic rings is 57.03 (6)°. The central heterocyclic ring adopts a half-chair conformation. The mol-ecular conformation is stabilized by two intra-molecular O-H⋯N hydrogen bonds with the N atoms of the heterocyclic ring as the acceptors. In the crystal, mol-ecules are linked into chains along the c axis by non-classical C-H⋯O hydrogen bonds.

Entities:  

Year:  2011        PMID: 22058934      PMCID: PMC3200585          DOI: 10.1107/S1600536811031205

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  4 in total

1.  Influence of crystal structure on the compaction properties of n-alkyl 4-hydroxybenzoate esters (parabens).

Authors:  Yushi Feng; David J W Grant
Journal:  Pharm Res       Date:  2006-06-21       Impact factor: 4.200

2.  Physical properties of parabens and their mixtures: solubility in water, thermal behavior, and crystal structures.

Authors:  F Giordano; R Bettini; C Donini; A Gazzaniga; M R Caira; G G Zhang; D J Grant
Journal:  J Pharm Sci       Date:  1999-11       Impact factor: 3.534

3.  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.

Authors:  Augusto Rivera; Diego Quiroga; Jaime Ríos-Motta; Michal Dušek; Karla Fejfarová
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-09-30

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

Authors:  Augusto Rivera; Diego Quiroga; Jaime Ríos-Motta; Michal Dušek; Karla Fejfarová
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-05-28
  4 in total
  2 in total

1.  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.

Authors:  Augusto Rivera; Diego Quiroga; Jaime Ríos-Motta; Karla Fejfarová; Michal Dušek
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-10-12

2.  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:  Augusto Rivera; Diego Quiroga; Jaime Ríos-Motta; Karla Fejfarová; Michal Dušek
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-10-05
  2 in total

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