Crystal and molecular structure of bis[N-(picolinoyl)-3-amino-1-propoxidoaquocopper(II)] dihydrate. A copper(II) dimer containing a bent four-membered ring

J. A. Bertrand, Etsuko Fujita, Etsuko Fujita

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Abstract

The crystal structure of the compound CuC9H14N2O4, CuL·2H2O (where L represents the dianion of the amide formed by the condensation of picolinic acid and 3-aminopropanol), has been studied by X-ray diffraction. The structure consists of dimeric units, [CuL(H2O)]2, and waters of crystallization that are linked by weak hydrogen bonding into an infinite, nearly planar network. The dimeric unit has twofold symmetry and contains a bent Cu2O2 ring (dihedral angle of 15.8 (4)° between the O-Cu-O planes). The coordination of the copper(II) is a distorted tetragonal pyramid with the weakly coordinated water (Cu-O = 2.394 (6) Å) in the apical position. The pyridine nitrogen (2.010 (5) Å), amide nitrogen (1.919 (5) Å), and alkoxide oxygen (1.951 (4) Å) of one ligand and the alkoxide oxygen of the second ligand occupy the basal coordination positions. The magnetic susceptibility data that were previously reported for this compound are discussed in terms of exchange coupling within the Cu2O2 ring of the dimer and through the hydrogen-bonding network. Crystal data for [CuL(H2O)]2·2H2O are as follows: space group C2/c, a = 20.328 (7) Å, b = 7.317 (3) Å, c = 16.862 (3) Å, β = 119.58 (2)°, Z = 4, ρobsd = 1.69 g cm-3, ρcalcd = 1.67 g cm-3. Final residual factors for the 1279 reflections above 3σ are R = 0.043 and Rw = 0.031.

Original languageEnglish
Pages (from-to)2067-2071
Number of pages5
JournalInorganic Chemistry
Volume13
Issue number9
Publication statusPublished - 1974

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alkoxides
Amides
Dimers
Molecular structure
amides
Copper
Propanolamines
Hydrogen bonds
molecular structure
Nitrogen
Crystal structure
dimers
Oxygen
Ligands
nitrogen
copper
Exchange coupling
ligands
crystal structure
Water

ASJC Scopus subject areas

  • Inorganic Chemistry

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Crystal and molecular structure of bis[N-(picolinoyl)-3-amino-1-propoxidoaquocopper(II)] dihydrate. A copper(II) dimer containing a bent four-membered ring. / Bertrand, J. A.; Fujita, Etsuko; Fujita, Etsuko.

In: Inorganic Chemistry, Vol. 13, No. 9, 1974, p. 2067-2071.

Research output: Contribution to journalArticle

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title = "Crystal and molecular structure of bis[N-(picolinoyl)-3-amino-1-propoxidoaquocopper(II)] dihydrate. A copper(II) dimer containing a bent four-membered ring",
abstract = "The crystal structure of the compound CuC9H14N2O4, CuL·2H2O (where L represents the dianion of the amide formed by the condensation of picolinic acid and 3-aminopropanol), has been studied by X-ray diffraction. The structure consists of dimeric units, [CuL(H2O)]2, and waters of crystallization that are linked by weak hydrogen bonding into an infinite, nearly planar network. The dimeric unit has twofold symmetry and contains a bent Cu2O2 ring (dihedral angle of 15.8 (4)° between the O-Cu-O planes). The coordination of the copper(II) is a distorted tetragonal pyramid with the weakly coordinated water (Cu-O = 2.394 (6) {\AA}) in the apical position. The pyridine nitrogen (2.010 (5) {\AA}), amide nitrogen (1.919 (5) {\AA}), and alkoxide oxygen (1.951 (4) {\AA}) of one ligand and the alkoxide oxygen of the second ligand occupy the basal coordination positions. The magnetic susceptibility data that were previously reported for this compound are discussed in terms of exchange coupling within the Cu2O2 ring of the dimer and through the hydrogen-bonding network. Crystal data for [CuL(H2O)]2·2H2O are as follows: space group C2/c, a = 20.328 (7) {\AA}, b = 7.317 (3) {\AA}, c = 16.862 (3) {\AA}, β = 119.58 (2)°, Z = 4, ρobsd = 1.69 g cm-3, ρcalcd = 1.67 g cm-3. Final residual factors for the 1279 reflections above 3σ are R = 0.043 and Rw = 0.031.",
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N2 - The crystal structure of the compound CuC9H14N2O4, CuL·2H2O (where L represents the dianion of the amide formed by the condensation of picolinic acid and 3-aminopropanol), has been studied by X-ray diffraction. The structure consists of dimeric units, [CuL(H2O)]2, and waters of crystallization that are linked by weak hydrogen bonding into an infinite, nearly planar network. The dimeric unit has twofold symmetry and contains a bent Cu2O2 ring (dihedral angle of 15.8 (4)° between the O-Cu-O planes). The coordination of the copper(II) is a distorted tetragonal pyramid with the weakly coordinated water (Cu-O = 2.394 (6) Å) in the apical position. The pyridine nitrogen (2.010 (5) Å), amide nitrogen (1.919 (5) Å), and alkoxide oxygen (1.951 (4) Å) of one ligand and the alkoxide oxygen of the second ligand occupy the basal coordination positions. The magnetic susceptibility data that were previously reported for this compound are discussed in terms of exchange coupling within the Cu2O2 ring of the dimer and through the hydrogen-bonding network. Crystal data for [CuL(H2O)]2·2H2O are as follows: space group C2/c, a = 20.328 (7) Å, b = 7.317 (3) Å, c = 16.862 (3) Å, β = 119.58 (2)°, Z = 4, ρobsd = 1.69 g cm-3, ρcalcd = 1.67 g cm-3. Final residual factors for the 1279 reflections above 3σ are R = 0.043 and Rw = 0.031.

AB - The crystal structure of the compound CuC9H14N2O4, CuL·2H2O (where L represents the dianion of the amide formed by the condensation of picolinic acid and 3-aminopropanol), has been studied by X-ray diffraction. The structure consists of dimeric units, [CuL(H2O)]2, and waters of crystallization that are linked by weak hydrogen bonding into an infinite, nearly planar network. The dimeric unit has twofold symmetry and contains a bent Cu2O2 ring (dihedral angle of 15.8 (4)° between the O-Cu-O planes). The coordination of the copper(II) is a distorted tetragonal pyramid with the weakly coordinated water (Cu-O = 2.394 (6) Å) in the apical position. The pyridine nitrogen (2.010 (5) Å), amide nitrogen (1.919 (5) Å), and alkoxide oxygen (1.951 (4) Å) of one ligand and the alkoxide oxygen of the second ligand occupy the basal coordination positions. The magnetic susceptibility data that were previously reported for this compound are discussed in terms of exchange coupling within the Cu2O2 ring of the dimer and through the hydrogen-bonding network. Crystal data for [CuL(H2O)]2·2H2O are as follows: space group C2/c, a = 20.328 (7) Å, b = 7.317 (3) Å, c = 16.862 (3) Å, β = 119.58 (2)°, Z = 4, ρobsd = 1.69 g cm-3, ρcalcd = 1.67 g cm-3. Final residual factors for the 1279 reflections above 3σ are R = 0.043 and Rw = 0.031.

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