1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)

Zi Shuo Yao, Osamu Sato

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title salt C6H14N22+-2C7H4ClO2-, two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H2DABCO2+) dication through N - HO hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87(9)°. The trimeric units are linked into a three-dimensional network via weak C - HO interactions.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume70
Issue number2
DOIs
Publication statusPublished - Feb 1 2014

Fingerprint

octanes
Anions
Negative ions
anions
Dihedral angle
dihedral angle
Hydrogen bonds
Salts
hydrogen bonds
salts
interactions
triethylenediamine
3-chlorobenzoic acid

All Science Journal Classification (ASJC) codes

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

Cite this

1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate). / Yao, Zi Shuo; Sato, Osamu.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 70, No. 2, 01.02.2014.

Research output: Contribution to journalArticle

@article{1a3bf5a07af34f98a7af8d1de758ebd3,
title = "1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)",
abstract = "In the title salt C6H14N22+-2C7H4ClO2-, two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H2DABCO2+) dication through N - HO hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87(9)°. The trimeric units are linked into a three-dimensional network via weak C - HO interactions.",
author = "Yao, {Zi Shuo} and Osamu Sato",
year = "2014",
month = "2",
day = "1",
doi = "10.1107/S1600536814000610",
language = "English",
volume = "70",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "2",

}

TY - JOUR

T1 - 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)

AU - Yao, Zi Shuo

AU - Sato, Osamu

PY - 2014/2/1

Y1 - 2014/2/1

N2 - In the title salt C6H14N22+-2C7H4ClO2-, two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H2DABCO2+) dication through N - HO hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87(9)°. The trimeric units are linked into a three-dimensional network via weak C - HO interactions.

AB - In the title salt C6H14N22+-2C7H4ClO2-, two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H2DABCO2+) dication through N - HO hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87(9)°. The trimeric units are linked into a three-dimensional network via weak C - HO interactions.

UR - http://www.scopus.com/inward/record.url?scp=84893638301&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84893638301&partnerID=8YFLogxK

U2 - 10.1107/S1600536814000610

DO - 10.1107/S1600536814000610

M3 - Article

VL - 70

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 2

ER -