A zigzag chain coordination polymer consisting of silver(I) ion having square planar geometry

The structure of the title complex, [Ag(C11H15N3S)2]PF6, has monoclinic (P21/c) symmetry, and the silver atom has a distorted square-planar geometry. The coordination complex crystallized from mixing silver hexafluoridophosphate with a concentrated tetrahydrofuran solution of N,N-diethylphenylazothioformamide [ATF; systematic name: 3,3-diethyl-1-(phenylimino)thiourea] under ambient conditions. The resultant coordination complex exhibits a 2:1 ligand-to-metal ratio, with the silver(I) atom having a fourfold AgN2S2 coordination sphere, with a single PF6 counter-ion. In the crystal, however, one sulfur atom from an ATF ligand of a neighboring complex coordinates to the silver atom, with a bond distance of 2.9884 (14) Å. This creates a polymeric zigzag chain propagating along the c-axis direction. The chains are linked by C—H...F hydrogen bonds, forming slabs parallel to the ac plane.

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A new structural motif for cadmium dithiocarbamates: crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1515/zkri-2018-2141 ◽

2019 ◽

Vol 234 (5) ◽

pp. 341-349 ◽

Cited By ~ 9

Author(s):

Jimmy Ahmad ◽

Fiona N.-F. How ◽

Siti Nadiah Abdul Halim ◽

Mukesh M. Jotani ◽

See Mun Lee ◽

...

Keyword(s):

Coordination Polymer ◽

Molecular Structures ◽

Structural Motif ◽

Planar Geometry ◽

One Dimensional ◽

Hirshfeld Surfaces ◽

Binuclear Molecule ◽

Square Planar ◽

Secondary Bonding ◽

Linear Coordination

Abstract The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear {Zn[S2CN(CH2CH2)2O)2]2}2 (1), and cadmium, one-dimensional coordination polymer {Cd[S2CN(CH2CH2)2O)2]2}2 (2), are described. In 1, a centrosymmetric binuclear molecule is found as there are equal numbers of chelating and bidentate bridging dithiocarbamate ligands; weak transannular Zn···S interactions are found within the resultant eight-membered {···SCSZn}2 ring which has the form of a chair. The resultant 4+1 S5 donor set is highly distorted with the geometry tending towards a square-pyramid. By contrast, a square-planar geometry is found in centrosymmetric 2 defined by symmetrically chelating dithiocarbamate ligands. The presence of Cd···S secondary bonding in the crystal of 2 leads to a distorted 4+2 S6 octahedron and a linear coordination polymer, which is unprecedented in the structural chemistry of cadmium dithiocarbamates. The analyses of the Hirshfeld surfaces for 1 and 2 show the dominance of H···H, S···H/H···S and O···H/H···O contacts to the surface, i.e. contributing around 90 and 80%, respectively.

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Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ7-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s205698901700665x ◽

2017 ◽

Vol 73 (6) ◽

pp. 835-837

Author(s):

Feng Zhang ◽

Bing-Guang Zhang

Keyword(s):

Coordination Polymer ◽

Octahedral Geometry ◽

Title Complex ◽

Distorted Octahedral Geometry ◽

Planar Geometry ◽

Water Molecules ◽

Centroid Distance ◽

Square Planar ◽

Distorted Octahedral ◽

Benzene Rings

In the title complex, [Ca2Cu(C9H3O6)2(H2O)2]n, the CaIIand CuIIcations are bridged by the benzene-1,3,5-tricarboxylate anions (BTC3−) to form the coordination polymer, in which each BTC3−anion bridges two CuIIand five CaIIcations with a μ7coordination mode. The CuIIcation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC3−anions, while the CaIIcation is in a distorted octahedral geometry defined by five O atoms from bridging BTC3−anions and one water molecule. O—H...O hydrogen bonds between coordinating water molecules and carboxyl groups further stabilize the structure; π–π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å.

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Anion-Dominated Copper Salicyaldimine Complexes—Structures, Coordination Mode of Nitrate and Decolorization Properties toward Acid Orange 7 Dye

Polymers ◽

10.3390/polym12091910 ◽

2020 ◽

Vol 12 (9) ◽

pp. 1910

Author(s):

Meng-Jung Tsai ◽

Chi-Jou Tsai ◽

Ken Lin ◽

Jing-Yun Wu

Keyword(s):

Critical Role ◽

Chain Structure ◽

Planar Geometry ◽

Zigzag Chain ◽

Acid Orange 7 ◽

Acid Orange ◽

Pyramidal Geometry ◽

Square Planar ◽

Anion Complex ◽

Degradation Activity

A salicyaldimine ligand, 3-tert-butyl-4-hydroxy-5-(((pyridin-2-ylmethyl)imino)methyl)benzoic acid (H2Lsalpyca) and two Cu(II)−salicylaldimine complexes, [Cu(HLsalpyca)Cl] (1) and [Cu(HLsalpyca)(NO3)]n (2), have been synthesized. Complex 1 has a discrete mononuclear structure, in which the Cu(II) center is in a distorted square-planar geometry made up of one HLsalpyca− monoanion in an NNO tris-chelating mode and one Cl− anion. Complex 2 adopts a neutral one-dimensional zigzag chain structure propagating along the crystallographic [010] direction, where the Cu(II) center suits a distorted square pyramidal geometry with a τ value of 0.134, consisted of one HLsalpyca− monoanion as an NNO tris-chelator and two NO3− anions. When the Cu∙∙∙O semi coordination is taken into consideration, the nitrato ligand bridges two Cu(II) centers in an unsymmetrical bridging-tridentate with a μ, κ4O,O′:O′,O″ coordination. Clearly, anion herein plays a critical role in dominating the formation of discrete and polymeric structures of copper salicyaldimine complexes. Noteworthy, complex 2 is insoluble but highly stable in H2O and various organic solvents (CH3OH, CH3CN, acetone, CH2Cl2 and THF). Moreover, complex 2 shows good photocatalytic degradation activity and recyclability to accelerate the decolorization rate and enhance the decolorization performance of acid orange 7 (AO7) dye by hydrogen peroxide (H2O2) under daylight.

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Crystal structure of a new mixed-metal coordination polymer consisting of NiII piperidine-dithiocarbamate and pentanuclear CuI—I cluster units

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989018000750 ◽

2018 ◽

Vol 74 (2) ◽

pp. 233-236

Author(s):

Kento Himoto ◽

Toshiya Horii ◽

Shoki Oda ◽

Shimpei Suzuki ◽

Kunihisa Sugimoto ◽

...

Keyword(s):

Crystal Structure ◽

Coordination Polymer ◽

Chain Structure ◽

Mirror Plane ◽

Zigzag Chain ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

Square Planar ◽

Cluster Unit ◽

Distorted Tetrahedral Coordination

A new heterometallic CuI–NiII coordination polymer, poly[[tetra-μ3-iodido-μ2-iodido-bis(μ3-piperidine-1-dithiocarbamato)propionitrilepentacopper(I)nickel(II)] chloroform monosolvate], {[CuI 5NiIII5(C6H10NS2)2(C3H5N)]·CHCl3} n , has been synthesized and structurally characterized. This coordination polymer consists of an NiII mononuclear unit of NiII(Pip-dtc)2 (Pip-dtc− is piperidine-1-dithiocarbamate) and a pentanuclear copper(I) cluster unit of Cu5I5(CH3CH2CN). The NiII ion, which lies on an inversion centre, is surrounded by four S atoms in a square-planar coordination geometry while all CuI ions have distorted tetrahedral coordination geometries. In the pentanuclear copper(I) cluster unit, a mirror plane passes through one CuI ion and three I ions. All the S atoms in NiII(Pip-dtc) are also coordinated by the CuI ions, forming an infinite zigzag chain structure along the b-axis direction. The chains are weakly connected by solvent CHCl3 molecules via Cl...I [3.653 (1) Å] and Cl...S [3.4370 (1) Å] short-contact interactions.

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New Platinum (II) Ternary Complexes of Formamidine and Pyrophosphate: Synthesis, Characterization and DFT Calculations and In vitro Cytotoxicity

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207323666200218115700 ◽

2020 ◽

Vol 23 (7) ◽

pp. 611-623

Author(s):

Ahmed A. Soliman ◽

Fawzy A. Attaby ◽

Othman I. Alajrawy ◽

Azza A.A. Abou-hussein ◽

Wolfgang Linert

Keyword(s):

Cell Line ◽

Cancer Cell ◽

Theoretical Calculations ◽

Thermal Analyses ◽

Cancer Cell Line ◽

Cellular Growth ◽

Planar Geometry ◽

Square Planar ◽

Vis Spectroscopy

Aim and Objective: Platinum (II) and platinum (IV) of pyrophosphate complexes have been prepared and characterized to discover their potential as antitumor drugs. This study was conducted to prepare and characterize new ternary platinum (II) complexes with formamidine and pyrophosphate as an antitumor candidate. Materials and Methods: The complexes have been characterized by mass, infrared, UV-Vis. spectroscopy, elemental analysis, magnetic susceptibility, thermal analyses, and theoretical calculations. They have been tested for their cytotoxicity, which was carried out using the fastcolorimetric assay for cellular growth and survival against MCF-7 (breast cancer cell line), HCT- 116 (colon carcinoma cell line), and HepG-2 (hepatocellular cancer cell line). Results: All complexes are diamagnetic, and the electronic spectral data displayed the bands due to square planar Pt(II) complexes. The optimized complexes structures (1-4) indicated a distorted square planar geometry where O-Pt-O and N-Pt-N bond angles were 82.04°-96.44°, respectively. Conclusion: The complexes showed noticeable cytotoxicity and are considered as promising antitumor candidates for further applications.

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A 2-D Zn(II) coordination polymer based on 4,5-imidazoledicarboxylate and bis(benzimidazole) ligands: synthesis, crystal structure and fluorescence properties

Zeitschrift für Naturforschung B ◽

10.1515/znb-2021-0003 ◽

2021 ◽

Vol 0 (0) ◽

Author(s):

Xinzhao Xia ◽

Lixian Xia ◽

Geng Zhang ◽

Yuxuan Jiang ◽

Fugang Sun ◽

...

Keyword(s):

Crystal Structure ◽

Coordination Polymer ◽

Zigzag Chain ◽

Supramolecular Framework ◽

X Ray Diffraction ◽

Hydrothermal Conditions ◽

Hydrogen Bond Interaction ◽

X Ray ◽

New Type ◽

Solid State Fluorescence

Abstract In this work, a new type of zinc(II) coordination polymer {[Zn(HIDC)(BBM)0.5]·H2O} n (Zn-CP) was synthesized using 4,5-imidazoledicarboxylic acid (H3IDC) and 2,2-(1,4-butanediyl)bis-1,3-benzimidazole (BBM) under hydrothermal conditions. Its structure has been characterized by infrared spectroscopy, elemental analysis and single crystal X-ray diffraction analysis. The Zn(II) ion is linked by the HIDC2− ligand to form a zigzag chain by chelating and bridging, and then linked by BBM to form a layered network structure. Adjacent layers are further connected by hydrogen bond interaction to form a 3-D supramolecular framework. The solid-state fluorescence performance of Zn-CP shows that compared with free H3IDC ligand, its fluorescence intensity is significantly enhanced.

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{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536806021544 ◽

2006 ◽

Vol 62 (7) ◽

pp. m1533-m1534 ◽

Cited By ~ 2

Author(s):

Han-Na Hou

Keyword(s):

Schiff Base ◽

Schiff Base Ligand ◽

Title Compound ◽

Planar Geometry ◽

Asymmetric Unit ◽

Thiocyanate Anion ◽

Square Planar

The title compound, [Cu(C14H15N2O)(NCS)], is a mononuclear copper(II) complex, with two molecules in the asymmetric unit. The CuII ion is coordinated by one O and two N atoms of a Schiff base ligand, and by one N atom of a thiocyanate anion, forming a square-planar geometry.

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Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s205698901502424x ◽

2016 ◽

Vol 72 (1) ◽

pp. 96-101

Author(s):

Zhe An ◽

Jing Gao ◽

William T. A. Harrison

Keyword(s):

Hydrogen Bonds ◽

Water Molecule ◽

Crystal Structures ◽

Metal Ion ◽

Three Dimensional ◽

Trigonal Prism ◽

Planar Geometry ◽

Cationic Complex ◽

Counter Ion ◽

Square Planar

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ2O,O′)bis(sparfloxacin-κ2O,O′)manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis(sparfloxacin-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C19H22F2N4O3)2](C8H4O4)·2H2O or [Cu(Hspar)2](bdc)·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn2+ion in (I) is coordinated by twoO,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and anO,O′-bidentate bdc dianion to generate a distorted MnO6trigonal prism. A very long bond [2.580 (12) Å] from the Mn2+ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu2+ion lies on a crystallographic inversion centre and a CuO4square-planar geometry arises from its coordination by twoO,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H...O hydrogen bonds, which closeS(6) rings. In the crystals of both (I) and (II), the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating three-dimensional networks.

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Unsymmetrical Schiff Base Functionalized as Monobasic Tridentate Ligand on Complexation with Some Transition Metal Ions

E-Journal of Chemistry ◽

10.1155/2012/503936 ◽

2012 ◽

Vol 9 (2) ◽

pp. 532-544

Author(s):

Bibhesh K. Singh ◽

Narendar Bhojak ◽

Anant Prakash

Keyword(s):

Schiff Base ◽

Transition Metal Ions ◽

Tridentate Ligand ◽

Planar Geometry ◽

Physico Chemical ◽

Square Planar ◽

Unsymmetrical Schiff Base ◽

Mm2 Calculations ◽

Microbial Potential

Cu(II), Co(II), Ni(II) and Mn(II) complexes of Schiff base derived from 2-aminophenol and pyrrole-2- carbaldehyde have been prepared. The complexes are formed by coordination of N and O atoms of the ligand. Their structures were characterized by physico-chemical and spectroscopic methods. Molecular structure of the complexes has been optimized by MM2 calculations and suggests a tetrahedral/ square planar geometry. The bio-efficacy of the ligand and their complexes has been examined against the growth of bacteriain vitroto evaluate their anti-microbial potential.

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