Man-sheng Chen, Yi-Fang Deng, Chun-hua Zhang
Mar 1, 2010
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Zeitschrift für Kristallographie - New Crystal Structures
Abstract
C22H18N4O4Zn, monoclinic, C1c1 (no. 9), a = 13.471(2) Å, b = 17.738(3) Å, c = 8.599(2) Å, ) = 96.635(3)°, V = 2041.0 Å, Z = 4, Rgt(F) = 0.044, wRref(F ) = 0.074, T = 293 K. Source of material The title compound was synthesized by the solvothermal reaction of Zn(NO3)2.·.6H2O (0.1 mmol, 0.0295 g), 4-((1H-imidazol-1yl)methyl)benzolic acid (0.2 mmol, 0.0409 g) and DMF (5 mL) in a Teflon-lined autoclave at 120 °C for 4 days. After the reaction autoclave was slowly cooled to room temperature for 24 h, colorless plate-like single crystals suitable for X-ray diffraction analysis were obtained, isolated by filtration and washed with DMF. Experimental details Hydrogen atoms bonded to carbon atoms were placed geometrically and treated as riding, (d(C—H) = 0.93 Å), with Uiso(H) = 1.2.Ueq(C). Discussion Metal coordination polymers have been studied extensively in the recent years due to their unusual structures as well as interesting network topologies and material properties [1-8]. But surprisingly coordination polymers with 4-aminobenzoate ligands, containing neutral donor groups, are rather rare. The asymmetric unit of the title complex polymer consists of two 4-((1H-imidazol-1-yl)methyl)benzoate anions and one zinc(II) cation (figure, top). The environment of the zinc(II) centre can be best described as a distorted tetrahedron, with two oxygen atoms from two independent 4-((1H-imidazol-1-yl)methyl)benzoate anions and two nitrogen atoms from two other ligands. Each 4((1H-imidazol-1-yl)methyl)benzolate anion coordinate one zinc ion as monodentate ligand via one oxygen atom and another one via the nitrogen atom, leading to a infinite chain with Zn···Zn distances of 11.136 Å. Adjacent zinc(II) cations are bridged by the 4((1H-imidazol-1-yl)methyl)benzolate ligands, forming a twodimensional 4 layer (figure, bottom). Then the layers are further linked into a three-dimensional network by C–H···O hydrogen bonds. Z. Kristallogr. NCS 225 (2010) 151-152 / DOI 10.1524/ncrs.2010.0065 151 © by Oldenbourg Wissenschaftsverlag, München Crystal: colorless plate, size 0.10 × 0.16 × 0.20 mm Wavelength: Mo K+ radiation (0.71073 Å) .: 12.41 cm−1 Diffractometer, scan mode: Bruker SMART CCD, #/% 2,max: 50.98° N(hkl)measured, N(hkl)unique: 5232, 2912 Criterion for Iobs, N(hkl)gt: Iobs > 2 ((Iobs), 2446 N(param)refined: 274 Programs: SHELXS-97 [9], SHELXL-97 [10] Table 1. Data collection and handling. H(1) 4a 0.2698 0.5637 0.7126 0.050 H(2) 4a 0.1369 0.7554 0.7531 0.065 H(3) 4a 0.0402 0.6860 0.5436 0.072 H(4A) 4a 0.1779 0.5153 0.4558 0.060 H(4B) 4a 0.0843 0.5615 0.3843 0.060 H(6) 4a −0.0582 0.5566 0.5919 0.065 H(7) 4a −0.1544 0.4705 0.7048 0.064 H(9) 4a 0.0395 0.3085 0.6392 0.068 H(10) 4a 0.1379 0.3959 0.5260 0.070 H(12) 4a 0.2893 −0.2717 1.4930 0.083 H(14) 4a 0.2351 −0.1678 1.0896 0.066 H(15A) 4a 0.2479 −0.1088 1.4603 0.091 H(15B) 4a 0.1565 −0.1621 1.4738 0.091 H(17) 4a 0.2040 0.0092 1.3588 0.070 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso