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 -