Abstract
The title compound (C5H14NO)4[Cu2(CH3COO)4Cl2]Cl2, consists of a pair of CuII ions bridged by four acetate groups, resulting in a Cu2(CH3COO)4 unit, four (3-hydroxypropyl)dimethylammonium cations (two crystallographically independent pairs) and two chloride anions. The Cu atoms at both termini are bonded to chloride anions. The latter are hydrogen bonded to one of the two pairs of crystallographically independent (3-hydroxypropyl)dimethylammonium cations. The Cu2(CH3COO)4 unit is located on a crystallographic inversion center, and the geometry around each metal center is close to octahedral. The Cl—Cu—Cu angles are nearly linear [177.48 (2)°] and the Cu—O bond lengths are in the range 1.9712 (18)–1.9809 (19) Å. The Cu⋯Cu separation between the two acetate-bridged CuII centers is 2.6793 (8) Å. The packing of the crystal structure is dominated by N—H⋯Cl hydrogen bonding between the ammonium groups and the chloride anions, as well as by O—H⋯O and O—H⋯Cl hydrogen bonds. One of the 3-hydroxypropyldimethylammonium cations shows orientational disorder with an occupancy ratio of 0.812 (4): 0.188 (4).
Highlights
The title compound (C5H14NO)4[Cu2(CH3COO)4Cl2]Cl2, consists of a pair of CuII ions bridged by four acetate groups, resulting in a Cu2(CH3COO)4 unit, four (3-hydroxypropyl)dimethylammonium cations and two chloride anions
The Cu2(CH3COO)4 unit is located on a crystallographic inversion center, and the geometry around each metal center is close to octahedral
The packing of the crystal structure is dominated by N—H Cl hydrogen bonding between the ammonium groups and the chloride anions, as well as by O—H O and
Summary
Hunterb a Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan, and bSTaRBURSTT-Cyberdiffraction Consortium at YSU, and Department of Chemistry, Youngstown State University, 1 University Plaza, Youngstown, Ohio. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.004 Å; disorder in solvent or counterion; R factor = 0.036; wR factor = 0.094; data-toparameter ratio = 21.4
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