A fivefold interpenetrating diamondoid three-dimensional metal-organic framework constructed from benzene-1,4-diacetic acid and flexible triazole derivatives: poly[[(μ2-benzene-1,4-diacetato-κ2O:O){μ2-1,4-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene-κ2N4:N4'}zinc(II)] monohydrate]

Hong Shen

doi:10.1107/S2053229613033305

A fivefold interpenetrating diamondoid three-dimensional metal-organic framework constructed from benzene-1,4-diacetic acid and flexible triazole derivatives: poly[[(μ2-benzene-1,4-diacetato-κ2O:O){μ2-1,4-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene-κ2N4:N4'}zinc(II)] monohydrate]

Acta Crystallogr C Struct Chem. 2014 Jan;70(Pt 1):28-30. doi: 10.1107/S2053229613033305. Epub 2013 Dec 14.

Author

Hong Shen¹

Affiliation

¹ City Vocational College of Jiangsu, Jiangsu Open University, Nanjing 210036, People's Republic of China.

PMID: 24399221
DOI: 10.1107/S2053229613033305

Abstract

In the title mixed-ligand metal-organic polymeric compound, {[Zn(C10H8O4)(C12H14N6)]·H2O}n, the asymmetric unit contains a divalent Zn(II) cation lying on a twofold axis, one half of a fully deprotonated benzene-1,4-diacetate (PBEA) ligand, one half of a 1,4-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene (BTX) ligand and a water molecule, also lying on a twofold axis. Each Zn(II) centre is surrounded by two O-donor atoms from monodentate carboxylate groups belonging to two different PBEA(2-) ligands and by two triazole N-donor atoms from two different BTX ligands. Single-crystal X-ray diffraction analysis revealed that the compound has a fivefold interpenetrating diamondoid three-dimensional metal-organic framework.

Keywords: 1,4-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene; MOFs; benzene-1,4-diacetic acid; crystal structure; fivefold interpenetrating diamondoid framework; metal–organic framework.