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1.
Acta Crystallogr C Struct Chem ; 78(Pt 2): 131-136, 2022 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-35119392

RESUMO

A novel three-dimensional CdII coordination polymer, namely, poly[[(µ3-benzene-1,4-diacetato)(µ2-benzene-1,4-diacetato)bis{µ2-bis[4-(2-methylimidazol-1-yl)phenyl]methanone}dicadmium(II)] tetartohydrate], {[Cd(C10H8O4)(C21H18N4O)]·0.25H2O}n or {[Cd(PBEA)(MIPMO)]·0.25H2O}n, (I), was synthesized by the hydrothermal method using benzene-1,4-diacetic acid (H2PBEA), bis[4-(2-methylimidazol-1-yl)phenyl]methanone (MIPMO) and Cd(NO3)2·6H2O. The title compound was structurally characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and thermogravimetric analysis, and exhibits a three-dimensional pillar-layer framework based on CdII-PBEA layers and MIPMO pillars, which can be simplified into a pcu topological network. The title compound displays a highly selective and sensitive sensing for Fe3+ ions in aqueous solution. In addition, it displays a high photocatalytic activity for the degradation of methylene blue (MB) in water under UV light irradiation.

2.
Acta Crystallogr C Struct Chem ; 76(Pt 9): 850-855, 2020 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-32887854

RESUMO

A novel twofold interpenetrating two-dimensional (2D) ZnII coordination framework, poly[[(µ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene-κ2N3:N3)(µ-naphthalene-2,6-dicarboxylato-κ2O2:O6)zinc(II)] dimethylformamide monosolvate], {[Zn(C12H6O4)(C14H14N4)]·C3H7NO}n or {[Zn(1,3-BMIB)(NDC)]·DMF}n (I), where H2NDC is naphthalene-2,6-dicarboxylic acid, 1,3-BMIB is 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and DMF is dimethylformamide, was prepared and characterized through IR spectroscopy, elemental analysis, thermal analysis and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis revealed that (I) exhibits an unusual twofold interpenetrating 2D network. In addition, it displays strong fluorescence emissions and a high photocatalytic activity for the degradation of Rhodamine B (RhB) under UV-light irradiation.

3.
Acta Crystallogr C Struct Chem ; 75(Pt 2): 196-199, 2019 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-30720458

RESUMO

A novel two-dimensional (2D) ZnII coordination framework, poly[[µ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene](µ-5-nitrobenzene-1,3-dicarboxylato)zinc(II)], [Zn(C8H3NO6)(C14H14N4)]n or [Zn(NO2-BDC)(1,3-BMIB)]n [1,3-BMIB is 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and NO2-H2BDC is 5-nitrobenzene-1,3-dicarboxylic acid], has been prepared and characterized by IR, elemental analysis, thermal analysis and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis revealed that the compound is a new 2D polymer with a 63 topology parallel to the (10-2) crystal planes based on left-handed helices, right-handed helical NO2-BDC-Zn chains and [Zn2(1,3-BMIB)2]n clusters. In the crystal, adjacent layers are further connected by C-H...O hydrogen bonds, C-H...π interactions, C-O...π interactions and N-O...π interactions to form a three-dimensional structure in the solid state. In addition, the compound exhibits strong fluorescence emissions in the solid state at room temperature.

4.
Acta Crystallogr C Struct Chem ; 70(Pt 12): 1138-42, 2014 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-25471414

RESUMO

A twofold interpenetrating three-dimensional Cd(II) coordination framework, [Cd(C8H3NO6)(C14H14N4)]n, has been prepared and characterized by IR spectroscopy, elemental analysis, thermal analysis and single-crystal X-ray diffraction. The asymmetric unit consists of a divalent Cd(II) atom, one 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene (1,3-BMIB) ligand and one fully deprotonated 5-nitrobenzene-1,3-dicarboxylate (NO2-BDC(2-)) ligand. The coordination sphere of the Cd(II) atom consists of five O-donor atoms from three different NO2-BDC(2-) ligands and two imidazole N-donor atoms from two different 1,3-BMIB ligands, forming a distorted {CdN2O5} pentagonal bipyramid. The NO2-BDC ligand links three Cd(II) atoms via a µ1-η(1):η(1) chelating mode and a µ2-η(2):η(1) bridging mode. The title compound is a twofold interpenetrating 3,5-connected network with the {4(2).6(5).8(3)}{4(2).6} topology. In addition, the compound exhibits fluorescence emissions in the solid state at room temperature.

5.
Acta Crystallogr C ; 69(Pt 6): 597-600, 2013 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-23744375

RESUMO

In the title mixed-ligand metal-organic polymeric complex, {[Co(NCS)2(C8H12N6)2]·2H2O}n, the asymmetric unit contains a divalent Co(II) cation, which sits on an inversion centre, two halves of two crystallographically distinct and centrosymmetric 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligands, one N-bound thiocyanate ligand and one solvent water molecule. The Co(II) atom possesses a distorted {CoN6} octahedral geometry, with the equatorial positions taken up by triazole N atoms from four different BTB ligands. The axial positions are filled by thiocyanate N atoms. In the crystal, each Co(II) atom is linked covalently to four others through the distal donors of the tethering BTB ligands, forming a neutral (4,4)-topology two-dimensional rhomboid grid layer motif, which is coincident with the (121) crystal planes. Magnetic investigations show that weak antiferromagnetic coupling exists between Co(II) atoms in the complex.

6.
Acta Crystallogr C ; 69(Pt 3): 241-3, 2013 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-23459346

RESUMO

In the title mixed-ligand metal-organic polymeric compound, {[Cd(C14H8O6S)(C16H16N2)]·3H2O}n, the asymmetric unit contains a crystallographically unique Cd(II) atom, one doubly deprotonated 4,4'-sulfonyldibenzoic acid (H2SDBA) ligand, one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and three solvent water molecules. Each Cd(II) centre is six-coordinated by two O atoms from a chelating carboxylate group of a SDBA(2-) ligand, two O atoms from monodentate carboxylate groups of two different SDBA(2-) ligands and two N atoms from a chelating TMPHEN ligand. There are two coordination patterns for the carboxylate groups of the SDBA(2-) ligand, with one in a µ1-η(1):η(1) chelating mode and the other in a µ2-η(1):η(1) bis-monodentate mode. Single-crystal X-ray diffraction analysis revealed that the title compound is a one-dimensional double-chain polymer containing 28-membered rings based on the [Cd2(CO2)2] rhomboid subunit. More interestingly, a chair-shaped water hexamer cluster is observed in the compound.

7.
Acta Crystallogr C ; 69(Pt 3): 244-6, 2013 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-23459347

RESUMO

In the title mixed-ligand metal-organic polymeric complex [Cd(C14H8O6S)(C16H16N2)(H2O)]n, the asymmetric unit contains a crystallographically unique Cd(II) atom, one doubly deprotonated 4,4'-sulfonyldibenzoic acid ligand (H2SDBA), one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and one water molecule. Each Cd(II) centre is coordinated by two N atoms from the chelating TMPHEN ligand, three O atoms from monodentate carboxylate groups of three different SDBA(2-) ligands and one O atom from a coordinated water molecule, giving a distorted CdN2O4 octahedral geometry. Single-crystal X-ray diffraction analysis reveals that the compound is a one-dimensional double-chain polymer containing 28-membered rings based on Cd2O2 clusters, with a Cd...Cd separation of 3.6889 (4) Å. These chains are linked by O-H...O and C-H...O hydrogen bonds to form a three-dimensional supramolecular framework. The framework is reinforced by π-π and C-O...π interactions.

8.
Acta Crystallogr C ; 68(Pt 11): m309-11, 2012 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-23124450

RESUMO

In the mixed-ligand metal-organic title polymeric compound, [Zn(C(10)H(8)O(4))(C(10)H(16)N(6))](n) or [Zn(PBEA)(BTH)](n) [H(2)PBEA is benzene-1,4-diacetic acid and BTH is 1,6-bis(1,2,4-triazol-1-yl)hexane], the asymmetric unit contains a Zn(II) atom, one half of a BTH ligand and one half of a doubly deprotonated H(2)PBEA ligand. Each Zn(II) centre lies on a crystallographic twofold rotation axis and is four-coordinated by two O atoms from two distinct PBEA(2-) ligands and two N atoms from two different BTH ligands in a {ZnO(2)N(2)} coordination environment. The three-dimensional topology of the title compound corresponds to that of a fivefold interpenetrating diamond-like metal-organic framework.

9.
Acta Crystallogr C ; 67(Pt 11): m364-6, 2011 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-22051954

RESUMO

The title compound, [Cd(C(8)H(7)N(4)O(2))(2)](n), crystallizes in the centrosymmetric triclinic space group P1 with an asymmetric unit consisting of a bivalent Cd(II) atom and two 2-(2,2'-bi-1H-imidazol-1-yl)acetate (BDAC(-)) anions. Two inversion-related BDAC(-) ligands are oppositely arranged and bind two Cd(II) ions to form a [Cd(2)(BDAC)(2)] rhomboid subunit which is bridged by another BDAC(-) ligand to form an infinite ladder along the a direction containing parallelogram grids. The three-dimensional supramolecular architecture is formed by hydrogen bonds and C-H···π and π-π interactions.

10.
Acta Crystallogr C ; 67(Pt 6): m173-5, 2011 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-21633148

RESUMO

The title compound, [Cd(C(10)H(8)O(4))(C(8)H(12)N(6))](n), crystallizes with an asymmetric unit comprising a divalent Cd(II) atom, a benzene-1,4-diacetate (PBEA(2-)) ligand and a complete 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligand. [Cd(PBEA)](n) double chains, arranged parallel to the c axis, are formed through an exo-tridentate binding mode of the PBEA(2-) ligands. These [Cd(PBEA)](n) double chains are pillared by tethering BTB ligands, in which the BTB shows a trans-trans-trans conformation, to establish [Cd(PBEA)(BTB)](n) two-dimensional coordination polymer (4,4)-layer slab patterns. The three-dimensional supramolecular architecture is formed by C-H···O hydrogen bonds and C-H···π interactions.

11.
Acta Crystallogr C ; 67(Pt 5): m137-9, 2011 May.
Artigo em Inglês | MEDLINE | ID: mdl-21540529

RESUMO

In the title mixed-ligand metal-organic polymeric compound, [Cd(C(10)H(8)O(4))(C(8)H(12)N(6))](n) or [Cd(PBEA)(BTB)](n) [H(2)PBEA is benzene-1,4-diacetic acid and BTB is 1,4-bis(1,2,4-triazol-1-yl)butane], the asymmetric unit contains one Cd(II) ion, one BTB molecule and one PBEA(2-) anion. The Cd(II) ion is in a slightly distorted pentagonal-bipyramidal geometry, coordinated by five carboxylate O atoms from three distinct PBEA(2-) anions and by two BTB N atoms. There are two coordination patterns for the carboxylate groups of the PBEA(2-) ligand, one being a µ(1)-η(1):η(1) chelating mode and the other a µ(2)-η(2):η(1) bridging mode, while the BTB molecule shows a trans-trans-trans conformation. The crystal structure is constructed from the secondary building unit (SBU) [Cd(2)(CO(2))(4)N(2)O(2)], in which the two metal centres are held together by two PBEA(2-) linkers. The SBU is connected by BTB and PBEA(2-) bridges to form a two-dimensional grid-like (4,4) layer with meshes of dimensions 14.69 × 11.28 Å.

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