3,5-Bis(benzyloxy)benzoic acid

Rodolfo Moreno-Fuquen, Carlos Grande, Rigoberto C. Advincula, Juan C. Tenorio, Javier Ellena

Research output: Contribution to journalArticle

Abstract

In the title compound, C21H18O4, the outer benzyl rings are disordered over two resolved positions in a 0.50 ratio. The O-CH2 groups form dihedral angles of 4.1(2) and 10.9(4) with the central benzene ring, adopting a syn-anti conformation with respect to this ring. In the crystal, the molecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O interactions, forming chains along [010].

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number11
DOIs
Publication statusPublished - 2012 Nov
Externally publishedYes

Fingerprint

Benzoic Acid
Benzoic acid
benzoic acid
Dihedral angle
Benzene
Conformations
Hydrogen bonds
Crystals
Molecules
rings
dihedral angle
benzene
hydrogen bonds
crystals
molecules
interactions

Keywords

  • data-to-parameter ratio = 9.8
  • disorder in main residue
  • mean ̄(C-C) = 0.003 Å
  • R factor = 0.053
  • single-crystal X-ray study
  • T = 295 K
  • wR factor = 0.163

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Moreno-Fuquen, R., Grande, C., Advincula, R. C., Tenorio, J. C., & Ellena, J. (2012). 3,5-Bis(benzyloxy)benzoic acid. Acta Crystallographica Section E: Structure Reports Online, 68(11). https://doi.org/10.1107/S1600536812043796

3,5-Bis(benzyloxy)benzoic acid. / Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 11, 11.2012.

Research output: Contribution to journalArticle

Moreno-Fuquen, R, Grande, C, Advincula, RC, Tenorio, JC & Ellena, J 2012, '3,5-Bis(benzyloxy)benzoic acid', Acta Crystallographica Section E: Structure Reports Online, vol. 68, no. 11. https://doi.org/10.1107/S1600536812043796
Moreno-Fuquen, Rodolfo ; Grande, Carlos ; Advincula, Rigoberto C. ; Tenorio, Juan C. ; Ellena, Javier. / 3,5-Bis(benzyloxy)benzoic acid. In: Acta Crystallographica Section E: Structure Reports Online. 2012 ; Vol. 68, No. 11.
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