3,5-Bis(benzyloxy)benzoic acid

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

doi:10.1107/S1600536812043796

3,5-Bis(benzyloxy)benzoic acid

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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 language	English
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	11
DOIs	https://doi.org/10.1107/S1600536812043796
Publication status	Published - 2012 Nov
Externally published	Yes

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)

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title = "3,5-Bis(benzyloxy)benzoic acid",

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].",

keywords = "data-to-parameter ratio = 9.8, disorder in main residue, mean{\= }(C-C) = 0.003 {\AA}, R factor = 0.053, single-crystal X-ray study, T = 295 K, wR factor = 0.163",

author = "Rodolfo Moreno-Fuquen and Carlos Grande and Advincula, {Rigoberto C.} and Tenorio, {Juan C.} and Javier Ellena",

year = "2012",

month = nov,

doi = "10.1107/S1600536812043796",

language = "English",

volume = "68",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "11",

}

TY - JOUR

T1 - 3,5-Bis(benzyloxy)benzoic acid

AU - Moreno-Fuquen, Rodolfo

AU - Grande, Carlos

AU - Advincula, Rigoberto C.

AU - Tenorio, Juan C.

AU - Ellena, Javier

PY - 2012/11

Y1 - 2012/11

N2 - 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].

AB - 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].

KW - data-to-parameter ratio = 9.8

KW - disorder in main residue

KW - mean ̄(C-C) = 0.003 Å

KW - R factor = 0.053

KW - single-crystal X-ray study

KW - T = 295 K

KW - wR factor = 0.163

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U2 - 10.1107/S1600536812043796

DO - 10.1107/S1600536812043796

M3 - Article

C2 - 23284545

AN - SCOPUS:84870891754

SN - 1600-5368

VL - 68

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 11

ER -

3,5-Bis(benzyloxy)benzoic acid

Abstract

Keywords

ASJC Scopus subject areas

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