Crystal structures of 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2)

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Abstract

The crystal structures of two hydrogen-bonded compounds, namely 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1), C13H14.59N2·C8H7.67O3·C8H7.74O3, (I), and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2), C14H9.43O4·C6H7.32NO·C6H7.25NO, (II), have been determined at 93 K. In (I), the asymmetric unit consists of two crystallographically independent 4-methoxybenzoic acid molecules and one 1,3-bis(pyridin-4-yl)propane molecule. The asymmetric unit of (II) comprises one biphenyl-4,4′-dicarboxylic acid molecule and two independent 4-methoxypyridine molecules. In each crystal, the acid and base molecules are linked by short O - H⋯N/N - H⋯O hydrogen bonds, in which H atoms are disordered over the acid O-atom and base N-atom sites, forming a linear hydrogen-bonded 2:1 or 1:2 unit of the acid and the base. The 2:1 units of (I) are linked via C - H⋯π, π-π and C - H⋯O interactions into a tape structure along [101], while the 1:2 units of (II) form a double-chain structure along [-101] through π-π and C - H⋯O interactions.

Original languageEnglish
Pages (from-to)1192-1196
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume73
DOIs
Publication statusPublished - 2017

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Dicarboxylic Acids
Propane
dicarboxylic acids
propane
Crystal structure
acids
crystal structure
Molecules
Acids
molecules
Atoms
atoms
hydrogen
Tapes
tapes
Hydrogen
Hydrogen bonds
diphenyl
4-methoxypyridine
interactions

Keywords

  • 1,3-bis(pyridin-4-yl)propane
  • 4-methoxybenzoic acid
  • 4-methoxypyridine
  • biphenyl-4,4′-dicarboxylic acid
  • crystal structure

ASJC Scopus subject areas

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

Cite this

@article{e03480fe5b864352b1523a3d8e21fbfd,
title = "Crystal structures of 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2)",
abstract = "The crystal structures of two hydrogen-bonded compounds, namely 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1), C13H14.59N2·C8H7.67O3·C8H7.74O3, (I), and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2), C14H9.43O4·C6H7.32NO·C6H7.25NO, (II), have been determined at 93 K. In (I), the asymmetric unit consists of two crystallographically independent 4-methoxybenzoic acid molecules and one 1,3-bis(pyridin-4-yl)propane molecule. The asymmetric unit of (II) comprises one biphenyl-4,4′-dicarboxylic acid molecule and two independent 4-methoxypyridine molecules. In each crystal, the acid and base molecules are linked by short O - H⋯N/N - H⋯O hydrogen bonds, in which H atoms are disordered over the acid O-atom and base N-atom sites, forming a linear hydrogen-bonded 2:1 or 1:2 unit of the acid and the base. The 2:1 units of (I) are linked via C - H⋯π, π-π and C - H⋯O interactions into a tape structure along [101], while the 1:2 units of (II) form a double-chain structure along [-101] through π-π and C - H⋯O interactions.",
keywords = "1,3-bis(pyridin-4-yl)propane, 4-methoxybenzoic acid, 4-methoxypyridine, biphenyl-4,4′-dicarboxylic acid, crystal structure",
author = "Kazuma Gotoh and Hiroyuki Ishida",
year = "2017",
doi = "10.1107/S2056989017010167",
language = "English",
volume = "73",
pages = "1192--1196",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - Crystal structures of 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2)

AU - Gotoh, Kazuma

AU - Ishida, Hiroyuki

PY - 2017

Y1 - 2017

N2 - The crystal structures of two hydrogen-bonded compounds, namely 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1), C13H14.59N2·C8H7.67O3·C8H7.74O3, (I), and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2), C14H9.43O4·C6H7.32NO·C6H7.25NO, (II), have been determined at 93 K. In (I), the asymmetric unit consists of two crystallographically independent 4-methoxybenzoic acid molecules and one 1,3-bis(pyridin-4-yl)propane molecule. The asymmetric unit of (II) comprises one biphenyl-4,4′-dicarboxylic acid molecule and two independent 4-methoxypyridine molecules. In each crystal, the acid and base molecules are linked by short O - H⋯N/N - H⋯O hydrogen bonds, in which H atoms are disordered over the acid O-atom and base N-atom sites, forming a linear hydrogen-bonded 2:1 or 1:2 unit of the acid and the base. The 2:1 units of (I) are linked via C - H⋯π, π-π and C - H⋯O interactions into a tape structure along [101], while the 1:2 units of (II) form a double-chain structure along [-101] through π-π and C - H⋯O interactions.

AB - The crystal structures of two hydrogen-bonded compounds, namely 4-methoxybenzoic acid-1,3-bis(pyridin-4-yl)propane (2/1), C13H14.59N2·C8H7.67O3·C8H7.74O3, (I), and biphenyl-4,4′-dicarboxylic acid-4-methoxypyridine (1/2), C14H9.43O4·C6H7.32NO·C6H7.25NO, (II), have been determined at 93 K. In (I), the asymmetric unit consists of two crystallographically independent 4-methoxybenzoic acid molecules and one 1,3-bis(pyridin-4-yl)propane molecule. The asymmetric unit of (II) comprises one biphenyl-4,4′-dicarboxylic acid molecule and two independent 4-methoxypyridine molecules. In each crystal, the acid and base molecules are linked by short O - H⋯N/N - H⋯O hydrogen bonds, in which H atoms are disordered over the acid O-atom and base N-atom sites, forming a linear hydrogen-bonded 2:1 or 1:2 unit of the acid and the base. The 2:1 units of (I) are linked via C - H⋯π, π-π and C - H⋯O interactions into a tape structure along [101], while the 1:2 units of (II) form a double-chain structure along [-101] through π-π and C - H⋯O interactions.

KW - 1,3-bis(pyridin-4-yl)propane

KW - 4-methoxybenzoic acid

KW - 4-methoxypyridine

KW - biphenyl-4,4′-dicarboxylic acid

KW - crystal structure

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U2 - 10.1107/S2056989017010167

DO - 10.1107/S2056989017010167

M3 - Article

AN - SCOPUS:85029488252

VL - 73

SP - 1192

EP - 1196

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

ER -