An unusual coordination polymer containing Cu+ ions and featuring possible Cu⋯Cu `cuprophilic' inter­actions: poly[di-μ-chlorido-(μ4-3,5-di­amino­benzoato-κ4O:O′:N:N′)tricopper(I)(3 Cu—Cu)]

Muhammad Kaleem Khosa, Paul T Wood, Simon M. Humphrey, William T. A. Harrison

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Abstract

Compounds containing copper(I) are of interest for their role in biological processes. The nature of short (< 3.2 A˚ ) CuCu contacts within these compounds has been debated, being either described as weakly attractive (bonding) ‘cuprophilic’ interactions, or simply as short metal–metal distances constrained by ligand geometry or largely ionic in nature. The title threedimensional Cu+ -containing coordination polymer, [Cu3(C7H7N2O2)Cl2]n, was formed from the in situ reduction of CuCl2 in the presence of 3,5-diaminobenzoic acid and KOH under hydrothermal conditions. Its complex crystal structure contains ten distinct CuI atoms, two of which lie on crystallographic inversion centres. The copper coordination geometries include near-linear CuOCl and CuN2, T-shaped CuOCl2 and distorted tetrahedral CuOCl3 groups. Each CuI atom is also associated with two adjacent metal atoms, with CuCu distances varying from 2.7350 (14) to 3.2142 (13) A˚ ; if all these are regarded as ‘cuprophilic’ interactions, then infinite [101] zigzag chains of CuI atoms occur in the crystal. The structure is consolidated by N—HCl hydrogen bonds.
Original languageEnglish
Pages (from-to)63-67
Number of pages5
JournalActa Crystallographica Section C, Crystal Structure Communications
Volume72
Issue number1
DOIs
Publication statusPublished - Jan 2016

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Copper
Polymers
Ions
Atoms
Hydrogen
Crystals
Geometry
Metals
Ligands
Hydrogen bonds
cupric chloride

Keywords

  • copper(I)
  • three-dimensional coordination polymer
  • cuprophilic interaction
  • crystal structure
  • 3,5-diaminobenzoate
  • in situ reduction

Cite this

@article{ddb94e3cdf614b53aebc9bca0c39c5f5,
title = "An unusual coordination polymer containing Cu+ ions and featuring possible Cu⋯Cu `cuprophilic' inter­actions: poly[di-μ-chlorido-(μ4-3,5-di­amino­benzoato-κ4O:O′:N:N′)tricopper(I)(3 Cu—Cu)]",
abstract = "Compounds containing copper(I) are of interest for their role in biological processes. The nature of short (< 3.2 A˚ ) CuCu contacts within these compounds has been debated, being either described as weakly attractive (bonding) ‘cuprophilic’ interactions, or simply as short metal–metal distances constrained by ligand geometry or largely ionic in nature. The title threedimensional Cu+ -containing coordination polymer, [Cu3(C7H7N2O2)Cl2]n, was formed from the in situ reduction of CuCl2 in the presence of 3,5-diaminobenzoic acid and KOH under hydrothermal conditions. Its complex crystal structure contains ten distinct CuI atoms, two of which lie on crystallographic inversion centres. The copper coordination geometries include near-linear CuOCl and CuN2, T-shaped CuOCl2 and distorted tetrahedral CuOCl3 groups. Each CuI atom is also associated with two adjacent metal atoms, with CuCu distances varying from 2.7350 (14) to 3.2142 (13) A˚ ; if all these are regarded as ‘cuprophilic’ interactions, then infinite [101] zigzag chains of CuI atoms occur in the crystal. The structure is consolidated by N—HCl hydrogen bonds.",
keywords = "copper(I), three-dimensional coordination polymer, cuprophilic interaction, crystal structure, 3,5-diaminobenzoate, in situ reduction",
author = "Khosa, {Muhammad Kaleem} and Wood, {Paul T} and Humphrey, {Simon M.} and Harrison, {William T. A.}",
note = "We thank the Higher Education Commission of Pakistan (grant No. 1-3/PM-PDFP-II/2006/22) for financial support.",
year = "2016",
month = "1",
doi = "10.1107/S205322961502330X",
language = "English",
volume = "72",
pages = "63--67",
journal = "Acta Crystallographica Section C, Crystal Structure Communications",
issn = "0108-2701",
publisher = "Wiley-Blackwell",
number = "1",

}

TY - JOUR

T1 - An unusual coordination polymer containing Cu+ ions and featuring possible Cu⋯Cu `cuprophilic' inter­actions: poly[di-μ-chlorido-(μ4-3,5-di­amino­benzoato-κ4O:O′:N:N′)tricopper(I)(3 Cu—Cu)]

AU - Khosa, Muhammad Kaleem

AU - Wood, Paul T

AU - Humphrey, Simon M.

AU - Harrison, William T. A.

N1 - We thank the Higher Education Commission of Pakistan (grant No. 1-3/PM-PDFP-II/2006/22) for financial support.

PY - 2016/1

Y1 - 2016/1

N2 - Compounds containing copper(I) are of interest for their role in biological processes. The nature of short (< 3.2 A˚ ) CuCu contacts within these compounds has been debated, being either described as weakly attractive (bonding) ‘cuprophilic’ interactions, or simply as short metal–metal distances constrained by ligand geometry or largely ionic in nature. The title threedimensional Cu+ -containing coordination polymer, [Cu3(C7H7N2O2)Cl2]n, was formed from the in situ reduction of CuCl2 in the presence of 3,5-diaminobenzoic acid and KOH under hydrothermal conditions. Its complex crystal structure contains ten distinct CuI atoms, two of which lie on crystallographic inversion centres. The copper coordination geometries include near-linear CuOCl and CuN2, T-shaped CuOCl2 and distorted tetrahedral CuOCl3 groups. Each CuI atom is also associated with two adjacent metal atoms, with CuCu distances varying from 2.7350 (14) to 3.2142 (13) A˚ ; if all these are regarded as ‘cuprophilic’ interactions, then infinite [101] zigzag chains of CuI atoms occur in the crystal. The structure is consolidated by N—HCl hydrogen bonds.

AB - Compounds containing copper(I) are of interest for their role in biological processes. The nature of short (< 3.2 A˚ ) CuCu contacts within these compounds has been debated, being either described as weakly attractive (bonding) ‘cuprophilic’ interactions, or simply as short metal–metal distances constrained by ligand geometry or largely ionic in nature. The title threedimensional Cu+ -containing coordination polymer, [Cu3(C7H7N2O2)Cl2]n, was formed from the in situ reduction of CuCl2 in the presence of 3,5-diaminobenzoic acid and KOH under hydrothermal conditions. Its complex crystal structure contains ten distinct CuI atoms, two of which lie on crystallographic inversion centres. The copper coordination geometries include near-linear CuOCl and CuN2, T-shaped CuOCl2 and distorted tetrahedral CuOCl3 groups. Each CuI atom is also associated with two adjacent metal atoms, with CuCu distances varying from 2.7350 (14) to 3.2142 (13) A˚ ; if all these are regarded as ‘cuprophilic’ interactions, then infinite [101] zigzag chains of CuI atoms occur in the crystal. The structure is consolidated by N—HCl hydrogen bonds.

KW - copper(I)

KW - three-dimensional coordination polymer

KW - cuprophilic interaction

KW - crystal structure

KW - 3,5-diaminobenzoate

KW - in situ reduction

U2 - 10.1107/S205322961502330X

DO - 10.1107/S205322961502330X

M3 - Article

VL - 72

SP - 63

EP - 67

JO - Acta Crystallographica Section C, Crystal Structure Communications

JF - Acta Crystallographica Section C, Crystal Structure Communications

SN - 0108-2701

IS - 1

ER -