2001•结构化学Requires access
Synthesis and Structure of [Cu（OH）2（H2O）2（4—C5H4N—COOH）2]
钟兆思, Daofeng Sun
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Abstract
The hydrothermal reaction of isonicotinic acid (4-C5H4N-COOH), Cu(ClO4)2·6H2O and water at 170°C gave the title compound, [Cu(OH)2(H2O)2(4-C5H4N- COOH)2] (1), which was analyzed by single-crystal X-ray diffraction. The complex crystallizes in triclinic space group P ī with unit cell parameters: a = 6.337(2), b = 6.894(3), c = 9.178(3)?. ( = 99.40(3), ( = 105.26(3), ( = 108.17(5)°, V = 354.1(2) ?3, Z = 1, C12H16CuN2O8, Mr = 379.81, Dc = 1.791 Mg/m3, F(000) = 197, ((MoK() = 1.589 mm－1. The final R and wR are 0.068 and 0.170 for 1249 observed reflections with I ≥ 2σ(I). The central copper ion is in a distorted octahedron geometry completed by two nitrogen atoms from carboxylic ligand, two oxygen atoms from hydroxyl groups and two oxygen atoms from coordinated water molecules. The intermolecular hydrogen bonding leads to the formation of a three-dimensional supramolecular structure.