Syntheses and Structures of Two Zn-Pyrazole/carboxyl Coordination Frameworks

OU YANG Chen-Hao, WEI Zi-Juan, HE Liang, GUO Yu-Jun, LUO Ming-Bu and LIN Qi-Pu*

Chin. J. Struct. Chem. 2021, 40, 1265-1270  DOI: 10.14102/j.cnki.0254-5861.2011-3149

October 15, 2021

pyrazole-carboxyl, X-ray crystallography, metal-organic frameworks, luminescence

ABSTRACT

Two pyrazole-based zinc(II) metal-organic frameworks, [(Zn4(PDC)2(BDC)(H2O)2]n (compound 1, PDC = 1H-pyrazole-3,5-dicarboxylic acid, BDC = benzene-1,4,-dicarboxylic acid) and [(Zn3(PDC)2(BPY)3(H2O)2]n (compound 2, BPY = 4,4-bipyridine), were synthesized and characterized by X-ray diffraction, elemental analysis, thermogravimetric analysis, infrared and fluorescence spectroscopy. Compound 1 crystallizes in space group Pna21 with a = 14.325(3), b = 10.004(2), c = 16.454(3) Å, V = 2357.8(8) Å3, Z = 4, Mr = 821.83, Dc = 2.298 g·cm-3, F(000) = 1608, GOOF = 1.163, the final R = 0.0218 and wR = 0.0686 for 5150 observed reflections with I > 2σ(I). Compound 2 crystallizes in monoclinic space group C2/c with a = 17.034(2), b = 11.6313(9), c = 11.7608(13) Å, V = 2034.9(4) Å3, Z = 2, Mr = 1006.91, Dc = 1.643 g·cm-3, F(000) = 1020, GOOF = 1.084, the final R = 0.0320 and wR = 0.0768 for 2435 observed reflections with I > 2σ(I).

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