Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1)

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Abstract

The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-ethoxybenzoic acid molecule and one half-molecule of 1,2-bis(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alkoxybenzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethane molecule. In each crystal, the two components are linked by O - H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C - H⋯O hydrogen bonds, forming tape structures.

Original languageEnglish
Pages (from-to)1340-1343
Number of pages4
JournalActa Crystallographica Section E: Crystallographic Communications
Volume71
DOIs
Publication statusPublished - 2015

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Ethane
ethane
Crystal structure
Crystals
acids
crystal structure
Molecules
Acids
crystals
molecules
Hydrogen
Hydrogen bonds
inversions
hydrogen bonds
hydrogen
Tapes
tapes
ethoxybenzoic acid
symmetry

Keywords

  • 1,2-bis(pyridin-4-yl)ethane
  • 4-alkoxybenzoic acid
  • crystal structure
  • hydrogen-bonded liquid crystal

ASJC Scopus subject areas

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

Cite this

@article{96fc0a137e414cc08518e4256a85b688,
title = "Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1)",
abstract = "The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-ethoxybenzoic acid molecule and one half-molecule of 1,2-bis(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alkoxybenzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethane molecule. In each crystal, the two components are linked by O - H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C - H⋯O hydrogen bonds, forming tape structures.",
keywords = "1,2-bis(pyridin-4-yl)ethane, 4-alkoxybenzoic acid, crystal structure, hydrogen-bonded liquid crystal",
author = "Yohei Tabuchi and Kazuma Gotoh and Hiroyuki Ishida",
year = "2015",
doi = "10.1107/S2056989015019349",
language = "English",
volume = "71",
pages = "1340--1343",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids

T2 - 4-ethoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-butoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1)

AU - Tabuchi, Yohei

AU - Gotoh, Kazuma

AU - Ishida, Hiroyuki

PY - 2015

Y1 - 2015

N2 - The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-ethoxybenzoic acid molecule and one half-molecule of 1,2-bis(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alkoxybenzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethane molecule. In each crystal, the two components are linked by O - H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C - H⋯O hydrogen bonds, forming tape structures.

AB - The crystal structures of three hydrogen-bonded co-crystals of 4-alkoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-ethoxybenzoic acid molecule and one half-molecule of 1,2-bis(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alkoxybenzoic acid molecules and one 1,2-bis(pyridin-4-yl)ethane molecule. In each crystal, the two components are linked by O - H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C - H⋯O hydrogen bonds, forming tape structures.

KW - 1,2-bis(pyridin-4-yl)ethane

KW - 4-alkoxybenzoic acid

KW - crystal structure

KW - hydrogen-bonded liquid crystal

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U2 - 10.1107/S2056989015019349

DO - 10.1107/S2056989015019349

M3 - Article

AN - SCOPUS:84948469630

VL - 71

SP - 1340

EP - 1343

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

ER -