Abstract
The asymmetric unit of the title compound, {[Cu(C4H2O4)(C3H10N2)(H2O)]·H2O}n, consists of two CuII atoms, half each of two propane-1,3-diamine ligands and two coordinated water molecules, all lying on crystallographic mirror planes, also one fumarate dianion and one uncoordinated water molecule in a general position. The Cu(C3H10N2)(H2O) units are linked via fumarate dianions into a zigzag chain running along the a axis. A longer Cu—O distance [2.873 (3) Å] is to a water molecule bridging equivalent CuII atoms in adjacent chains, forming a three-dimensional framework. One of the CuII atoms is in a distorted square-pyramidal environment and the other is in a pseudo-octahedral geometry of the [5+1] type. O—H⋯O and N—H⋯O hydrogen bonds are observed in the crystal structure.
Highlights
The asymmetric unit of the title compound, {[Cu(C4H2O4)(C3H10N2)(H2O)]ÁH2O}n, consists of two CuII atoms, half each of two propane-1,3-diamine ligands and two coordinated water molecules, all lying on crystallographic mirror planes, one fumarate dianion and one uncoordinated water molecule in a general position
The Cu(C3H10N2)(H2O) units are linked via fumarate dianions into a zigzag chain running along the a axis
One of the CuII atoms is in a distorted square-pyramidal environment and the other is in a pseudo-octahedral geometry of the [5+1] type
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 A; R factor = 0.041; wR factor = 0.097; data-to-parameter ratio = 21.7. The asymmetric unit of the title compound, {[Cu(C4H2O4)(C3H10N2)(H2O)]ÁH2O}n, consists of two CuII atoms, half each of two propane-1,3-diamine ligands and two coordinated water molecules, all lying on crystallographic mirror planes, one fumarate dianion and one uncoordinated water molecule in a general position. The Cu(C3H10N2)(H2O) units are linked via fumarate dianions into a zigzag chain running along the a axis. A longer Cu—O distance [2.873 (3) A ] is to a water molecule bridging equivalent CuII atoms in adjacent chains, forming a three-dimensional framework. O—HÁ Á ÁO and N—HÁ Á ÁO hydrogen bonds are observed in the crystal structure
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