scholarly journals Synthesis, X-ray Structure, Hirshfeld Analysis of Biologically Active Mn(II) Pincer Complexes Based on s-Triazine Ligands

Crystals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 931
Author(s):  
Saied M. Soliman ◽  
Hessa H. Al-Rasheed ◽  
Ayman El-Faham
Keyword(s):  
Antimicrobial Activities ◽  
Biologically Active ◽  
Pincer Complexes ◽  
Coordination Geometry ◽  
Tridentate Ligands ◽  
X Ray ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Hirshfeld Analysis ◽  
Anti Fungal

Herein, the synthesis and antimicrobial activities of [Mn(MorphBPT)(H2O)2NO3]NO3; (1) and [Mn(PipBPT)(H2O)2NO3]NO3; (2) complexes of the pincer-type tridentate ligands MorphBPT; 4-(4,6-di(1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)morpholine and PipBPT; 2-(piperidin-1-yl)-4,6-di(1H-pyrazol-1-yl)-1,3,5-triazine are presented. Both complexes have slightly distorted octahedral coordination geometry. Their molecular packing depends on O–H···O, C–H···O hydrogen bonds and anion–π stacking contacts. Hirshfeld analysis was used to quantify the different contacts. Both complexes exhibited better anti-fungal activity than the standard Fluconazole and comparable antibacterial activity to Gentamycin against Staphylococcus aureus and Escherichia coli microbes. Moreover, complexes 1 and 2 are biologically more active than the free ligands against these microbes.

Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study

2013 ◽  
Vol 69 (8) ◽  
pp. 815-818 ◽  
Author(s):  
Mwaffak Rukiah ◽  
Thaer Assaad
Keyword(s):  
Hydrogen Bonding ◽  
Rietveld Method ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title two-dimensional coordination polymer, [Na(C2H8NO6P2)]n, was characterized using powder X-ray diffraction data and its structure refined using the Rietveld method. The asymmetric unit contains one Na+cation and one (1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonate) anion. The central Na+cation exhibits distorted octahedral coordination geometry involving two deprotonated O atoms, two hydroxy O atoms and two double-bonded O atoms of the bisphosphonate anion. Pairs of sodium-centred octahedra share edges and the pairs are in turn connected to each other by the biphosphonate anion to form a two-dimensional network parallel to the (001) plane. The polymeric layers are connected by strong O—H...O hydrogen bonding between the hydroxy group and one of the free O atoms of the bisphosphonate anion to generate a three-dimensional network. Further stabilization of the crystal structure is achived by N—H...O and O—H...O hydrogen bonding.<!?tpb=18.7pt>

Phenylimido complexes of tungsten(VI) and tungsten(V). The crystal and molecular structure of Trichloro(phenylimido)bis(trimethylphosphine)tungsten(V)

1983 ◽  
Vol 36 (2) ◽  
pp. 243 ◽  
Author(s):  
AJ Nielson ◽  
JM Waters
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Multiple Bond ◽  
Coordination Geometry ◽  
Fourier Methods ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Tetrahydrofuran Solution

Tetrachloro(phenylimido)tungsten(VI) is reduced by trimethylphosphine in tetrahydrofuran solution to give the tungsten(V) complex PhNWCl3(Pme3)2 in which the phenylimido multiple bond remains intact. The complex reacts with oxygen to form the phosphine oxide complex PhNWCl3 (OPMe3)2. Pyridine and alkyl cyanides do not reduce tetrachloro(phenylimido)tungsten(V1) but give the adducts PhNWCl4.L (L = py, MeCN, EtCN). The crystal and molecular structure of the title complex has been determined from single-crystal X-ray diffractometer data. The crystals are monoclinic with a 14.903, b 10.221, c 14.380Š β 116.05�, space group P21/c, Z 4. The structure has been solved by Patterson and Fourier methods and refined to R 0.030 for the 1566 observed data. Distorted octahedral coordination geometry is found with two trans trimethylphosphine and two trans chloride ligands; a third chloride is trans to the phenylimido group. The W-N(imido) bond length is 1.731 �.

scholarly journals Crystal Structure of [Bis(L-Alaninato)Diaqua]Nickel(II) Dihydrate

2009 ◽  
Vol 2009 ◽  
pp. 1-5 ◽  
Author(s):  
Awni Khatib ◽  
Fathi Aqra ◽  
David Deamer ◽  
Allen Oliver
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Potassium Hydroxide ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Gauche Conformation ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title complex, [Ni, has been prepared from nickel(II) chloride in aqueous solution by adding L-alanine and potassium hydroxide. It has been crystallized from aqueous solution, and its structure was determined by X-ray structure analysis. The nickel(II) ion adopts distorted octahedral coordination geometry with two bidentate L-alanine molecules and two water molecules. The complex is neutral and dihydrated. The crystal structure shows the hydrogen bonding between water and amide hydrogens within the lattice, and each fragment of the complex contains two water molecules as hydrated water. The L-alaninato ligand skeleton of the compound adopts the most stable trans-III configuration in the solid state. The alternating two five-membered chelate rings are in the stable gauche conformation.

scholarly journals [BIS(D-ALANINATO)DIAQUA)NICKEL(II) DIHYDRATE: PREPARATION AND CRYSTAL STRUCTURE

2008 ◽  
Vol 16 (16) ◽  
pp. 23-39
Author(s):  
Khatib Awni ◽  
Fatbi Aqrn ◽  
David Deamer ◽  
Allen Oliver
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Potassium Hydroxide ◽  
Title Complex ◽  
Water Molecules ◽  
Coordination Geometry ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title complex of formula [Ni(NH2CH3CHCOO)2(H20)2].2H2O has been prepared from nickel(II) chloride in an aqueous solution by adding D-alanine and potassium hydroxide. It has beett crystallized from an aqueous solution and its structure was determined by X-ray structure analysis. The nickel(II) atom adopts distorted octahedral coordination geometry with two bidentate alanine molecules and two water molecules. The complex is neutral and dihydrated. The network crystal structure shows hydrogen bonding between water and amide hydrogens within the lattice, and each fragment of the complex contains two water molecules as hydrated water.

A Manganese(II) 4-Hydroxycinnamate Complex with the Tripod Ligand Tris(2-benzimidazolylmethyl)amine

2008 ◽  
Vol 63 (1) ◽  
pp. 11-15 ◽  
Author(s):  
Huilu Wu ◽  
Wei Ying ◽  
Jingkun Yuana ◽  
Jian Dinga
Keyword(s):  
Thermal Analyses ◽  
Cyclic Voltammograms ◽  
Coordination Geometry ◽  
Spectral Measurements ◽  
X Ray Diffraction ◽  
Epr Spectrum ◽  
X Ray ◽  
Distorted Octahedral Coordination Geometry ◽  
X Band ◽  
Distorted Octahedral

A six-coordinate manganese (II) complex with the tripod ligand tris(2-benzimidazolylmethyl) amine (ntb), with composition [Mn(ntb) (4-hydroxycinnamate)](4-hydroxycinnamate) · (DMF)0.5 · (H2O)3, was synthesized and characterized by elemental and thermal analyses, electrical conductivity, IR, and UV/vis spectral measurements. The crystal structure of the complex has been determined by the single-crystal X-ray diffraction. The Mn (II) cation is bonded to an ntb ligand and a 4-hydroxycinnamate ligand through four N atoms and two O atoms, giving a distorted octahedral coordination geometry. Cyclic voltammograms of the complex indicate a quasi-reversible Mn3+/Mn2+ couple. The X-band EPR spectrum of the complex exhibits a six-line manganese hyperfine splitting pattern with g = 2, A = 95, and confirms that the material is high-spin Mn(II).

scholarly journals Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)zinc trihydrate

2015 ◽  
Vol 71 (9) ◽  
pp. m162-m163
Author(s):  
Siddhartha S. Baisya ◽  
Baidyanath Ghosh ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carboxylate Ligand ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Zn(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the ZnIIatom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H...O, O—H...N and O—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å.

Hydrogen bonding and π–π interactions in the cocrystal salt [Fe(bpe)2(H2O)4](TCEP)2·2(bpe) [bpe is trans-1,2-bis(pyridin-4-yl)ethene and TCEP is 1,1,3,3-tetracyano-2-ethoxypropenide]

2019 ◽  
Vol 75 (3) ◽  
pp. 348-353
Author(s):  
Abderrezak Addala ◽  
David K. Geiger ◽  
Zouaoui Setifi ◽  
Fatima Setifi
Keyword(s):  
Hydrogen Bonding ◽  
Density Functional ◽  
Complex Cation ◽  
Electron Delocalization ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Functional Theory ◽  
Π Interactions ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The cocrystal salt tetraaquabis[trans-1,2-bis(pyridin-4-yl)ethene-κN]iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)–trans-1,2-bis(pyridin-4-yl)ethene (1/2), [Fe(C12H10N2)2(H2O)4](C9H5N4O)2·2C12H10N2, is a rare example of a mononuclear FeII compound with trans-1,2-bis(pyridin-4-yl)ethane (bpe) ligands. The complex cation resides on a crystallographically imposed inversion center and exhibits a tetragonally distorted octahedral coordination geometry. Both the symmetry-independent bpe ligand and the cocrystallized bpe molecule are essentially planar. The 1,1,3,3-tetracyano-2-ethoxypropenide counter-ion is nonplanar and the bond lengths are consistant with significant electron delocalization. The extended structure exhibits an extensive O—H...N hydrogen-bonding network with layers of complex cations joined by the cocrystallized bpe. Both the coordinated and the cocrystallized bpe are involved in π–π interactions. Hirshfeld and fingerprint plots reveal the important intermolecular interactions. Density functional theory was used to estimate the strengths of the hydrogen-bonding and π–π interactions, and suggest that the O—H...N hydrogen bonds enhance the strength of the π-interactions by increasing the polarization of the pyridine rings.

μ-Oxido-bis{chlorido[tris(2-pyridylmethyl)amine]iron(III)} bis(hexafluoridophosphate)

2007 ◽  
Vol 63 (11) ◽  
pp. m2722-m2722 ◽  
Author(s):  
Ying Liu ◽  
Jianmin Dou ◽  
Dacheng Li ◽  
Xianxi Zhang
Keyword(s):  
Title Compound ◽  
Chloride Ion ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Amine Ligand

The dinuclear FeIII complex in the title compound, [Fe2Cl2O(C18H18N4)2](PF6)2, lies on a center of inversion. The FeIII atom is chelated by a tetradentate tris(2-pyridylmethyl)amine ligand via four N atoms and further coordinated by one chloride ion and one bridging oxide O atom, giving a distorted octahedral coordination geometry.

Dichloro(ethanol-κO){(E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato-κ3 N,N′,S}indium(III)

2007 ◽  
Vol 63 (3) ◽  
pp. m845-m846 ◽  
Author(s):  
Ying-Ju Fan ◽  
Le Wang ◽  
Jian-Ping Ma ◽  
Zhong-Xi Sun
Keyword(s):  
Title Complex ◽  
Enol Form ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Ethanol Molecule ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Cl Atoms

Reaction of indium(III) chloride with (E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazide afforded the title complex, [In(C8H9N4S)Cl2(C2H5OH)]. The ligand is in the enol form coordinating to the InIII atom through one S atom and two N atoms. The InIII atom is further coordinated by two Cl atoms and an ethanol molecule to complete a distorted octahedral coordination geometry.

scholarly journals trans-Bis(aniline-κN)dichlorobis(ethanol-κO)cobalt(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m856-m856 ◽  
Author(s):  
William Clegg ◽  
Nicola C. Martin
Keyword(s):  
Hydrogen Bonds ◽  
Organic Acid ◽  
Title Compound ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Phenyl Rings ◽  
Network Complex

The title compound, [CoCl2(C6H7N)2(C2H6O)2], was obtained unintentionally as the product of an attempted synthesis of a polycarboxylate-bridged network complex of cobalt(II) using aniline as a base to deprotonate the organic acid. The molecule is centrosymmetric, so pairs of equivalent ligands lie trans to each other in a slightly distorted octahedral coordination geometry. Molecules are linked by O—H...Cl and N—H...Cl hydrogen bonds involving all the potential donors, generating sheets parallel to (001). The phenyl rings protrude on both sides of these sheets and have normal hydrophobic contacts with each other, involving no intercalation or stacking interactions.

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