scholarly journals A new mononuclear neutral high-spin iron(III) complex with the different tridentate ligands 5-bromosalicylaldehyde (pyridin-2-yl)hydrazone and 5-bromosalicylaldehyde thiosemicarbazone

2018 ◽  
Vol 74 (2) ◽  
pp. 252-255 ◽  
Author(s):  
Yun Zhao ◽  
Xiao-Feng Shen ◽  
Li-Fang Zhang
Keyword(s):  
High Spin ◽  
Magnetic Measurements ◽  
High Spin State ◽  
Mononuclear Complex ◽  
Monoclinic Space Group ◽  
Coordination Geometry ◽  
Tridentate Ligands ◽  
Complex Molecules ◽  
Distorted Octahedral ◽  
High Spin Iron

The title neutral mononuclear complex, [1-(5-bromo-2-oxidobenzylidene)thiosemicarbazidato](4-bromo-2-{[2-(pyridin-2-yl)hydrazinylidene]methyl}phenolato)iron(III), [Fe(C8H6BrN3OS)(C12H9BrN3O)] (I), crystallizes in the monoclinic space group C 2/c and has two different planar tridentate ligands. The central FeIII ion is coordinated to three N, two O and one S atom, forming a distorted octahedral FeN3O2S coordination geometry. In the crystal, the complex molecules are linked by N—H...O and N—H...N hydrogen bonds and π–π interactions into layers parallel to (100). Magnetic measurements show that the central FeIII ion is in the high-spin state; this is also supported by the bond distances around the FeIII ion.

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.

scholarly journals Crystal structure and Hirshfeld surface analysis of bis(benzoato-κ2 O,O′)[bis(pyridin-2-yl-κN)amine]nickel(II)

2019 ◽  
Vol 75 (9) ◽  
pp. 1301-1305
Author(s):  
Phichitra Phiokliang ◽  
Phakamat Promwit ◽  
Kittipong Chainok ◽  
Nanthawat Wannarit
Keyword(s):  
Surface Analysis ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Complex Molecules ◽  
One Dimensional ◽  
Centroid Distance ◽  
Distorted Octahedral

A new mononuclear NiII complex with bis(pyridin-2-yl)amine (dpyam) and benzoate (benz), [Ni(C7H5O2)2(C10H9N3)], crystallizes in the monoclinic space group P21/c. The NiII ion adopts a cis-distorted octahedral geometry with an [NiN2O4] chromophore. In the crystal, the complex molecules are linked together into a one-dimensional chain by symmetry-related π–π stacking interactions [centroid-to-centroid distance = 3.7257 (17) Å], along with N—H...O and C—H...O hydrogen bonds. The crystal packing is further stabilized by C—H...π interactions, which were investigated by Hirshfeld surface analysis.

Structure and Fluorescence Properties of a Novel Supramolecular Zinc Complex

2008 ◽  
Vol 63 (12) ◽  
pp. 1357-1360 ◽  
Author(s):  
Gang Chen
Keyword(s):  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Free Ligand ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Ligand Complex ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Cell Dimensions

Hydrothermal reaction of Zn(NO3)2 · 6H2O and 2-hydroxypyridine-3-carboxylic acid afforded a novel supramolecular complex, [Zn(C6H4NO3)2(H2O)2] (1). The complex has been characterized by macroanalysis, IR spectra, and thermogravimetric and differential thermal analysis (TG/DTA). Single crystal X-ray analysis shows that complex 1 crystallizes in the monoclinic space group P21/c with the cell dimensions a = 7.534(6), b = 12.289(1), c = 7.534(6) Å, β = 100.51°, V = 685.85(1) Å3, and Z = 2. The six-coordinated Zn atom is in a severely distorted octahedral geometry. The complex molecules are assembled via strong O-H· · ·O and N-H· · ·O hydrogen bonding interactions into a three-dimensional supramolecular framework. Compared with the free ligand, complex 1 exhibits strong fluorescence in the solid state at room temperature.

Ionic complex of fullerene C602− dianions with (MDABCO+)2·MnIITPP coordination assemblies: synthesis, crystal structure and magnetic properties

2008 ◽  
Vol 12 (11) ◽  
pp. 1146-1153 ◽  
Author(s):  
Dmitri V. Konarev ◽  
Salavat S. Khasanov ◽  
Gunzi Saito ◽  
Rimma N. Lyubovskaya
Keyword(s):  
High Spin ◽  
Spin State ◽  
Magnetic Measurements ◽  
High Spin State ◽  
Radial Expansion ◽  
Ionic Complex ◽  
Porphyrin Core ◽  
First Time ◽  
Center Distance ◽  
Positively Charged

The crystals of the ionic complex containing fullerene C 602− dianions and positively charged ( MDABCO +)2· Mn II TPP assemblies: {( MDABCO +)2·MnII TPP }·( C 602−)·( C 6 H 4 Cl 2)4·( CH 3 CN )2 (1) were obtained for the first time ( MDABCO +: the cation of N-methyldiazabicyclooctane; TPP: tetraphenylporphyrin). The C 602− dianions are isolated in the complex with the shortest center-to-center distance of 13.228 Å. The Mn II atoms are six-coordinated in the ( MDABCO +)2· Mn II TPP units. The length of the Mn-N(TPP) equatorial bonds of 2.093-2.098(1) Å corresponds to the high-spin state of the Mn II atoms (S = 5/2) which was confirmed by the magnetic measurements (µ eff = 5.61 µ B at 300 K). The Mn II atoms are located exactly in the porphyrin plane and this results in the radial expansion of the porphyrin core. The long (2.537(1)−2.545(1) Å) Mn - N ( MDABCO +) axial bonds indicate essential destabilization of the six-coordinated ( MDABCO +)2· Mn II TPP units due to the population of the d ( z 2) orbital in high-spin state. The contribution from the C 602− dianions was not found in magnetic measurements on the basis of the contribution from high-spin Mn II TPP and most probably they are diamagnetic in the 2-300 K range.

scholarly journals trans-Bis(nitrato-κO)tetrakis(1-vinyl-1H-imidazole-κN3)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1045-m1045 ◽  
Author(s):  
Fatih Şen ◽  
Ramazan Şahin ◽  
Ömer Andaç ◽  
Murat Taş
Keyword(s):  
Equatorial Plane ◽  
Title Compound ◽  
Nitrate Anion ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Π Interactions ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Jahn Teller

In the title compound, [Cu(NO3)2(C5H6N2)4], the CuIIion is located on an inversion centre. It features a Jahn–Teller-distorted octahedral coordination geometry, defined by four N atoms of four 1-vinylimidazole ligands in the equatorial plane and two nitrate O atoms in the axial positions. The nitrate anion is disordered over two sets of sites in a 0.801 (6):0.199 (6) ratio. In the crystal, the complex molecules are linked by weak intermolecular C—H...O and C—H...π interactions.

Diacetato[2,6-bis(2-pyridylamino)pyridine]nickel(II)

2006 ◽  
Vol 62 (4) ◽  
pp. m878-m880
Author(s):  
Yin-Qiu Liu ◽  
Xi-Rui Zeng ◽  
Han-Mao Kuang ◽  
Hua-Long Chen ◽  
Qiu-Yan Luo
Keyword(s):  
Pyridine Ring ◽  
Three Dimensional ◽  
Title Complex ◽  
Equatorial Position ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The Ni atom in the title complex, [Ni(C2H3O2)2(C15H13N5)] or [Ni(CH3COO)2(tpdaH2)] (tpdaH2 is tripyridyldiamine), has a distorted octahedral coordination geometry formed by the tridentate tpdaH2 ligand and two acetate groups. The tpdaH2 ligand is mer-coordinated, with the N atom of the central pyridine ring in the equatorial position and the N atoms of the peripheral pyridine rings in the axial positions. The remaining three equatorial positions are occupied by the O atoms of two acetate anions. The H atoms of both NH groups of the tpdaH2 ligand are involved in strong hydrogen bonds with O atoms of adjacent complex molecules to form a three-dimensional network.

scholarly journals cis-Bis(1,10-phenanthroline-κ2N,N′)bis(pyridin-4-amine-κN1)ruthenium(II) bis(hexafluoridophosphate)

2013 ◽  
Vol 69 (2) ◽  
pp. m75-m76
Author(s):  
Mariana R. Camilo ◽  
Felipe T. Martins ◽  
Valéria R. S. Malta ◽  
Javier Ellena ◽  
Rose M. Carlos
Keyword(s):  
Title Complex ◽  
Coordination Geometry ◽  
Screw Axis ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Diimine Ligands ◽  
Hydrogen Bonding Interactions ◽  
Counter Ions ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title complex, [Ru(C12H8N2)2(C5H6N2)2](PF6)2, the RuIIatom is bonded to two α-diimine ligands,viz.1,10-phenanthroline (phen), in acisconfiguration, in addition with with two 4-aminopyridine (4Apy) ligands, resulting in a distorted octahedral coordination geometry. N—H...F hydrogen-bonding interactions play an important role in the crystal assembly: 21-screw-axis-related complex molecules and PF6−counter-ions alternate in helical chains formed along theaaxis by means of these contacts. N—H...π contacts (H...centroid = 3.45 Å) are responsible for cross-linking between the helical chains along [001].

The Crystal Structure of (2,2′-Bipyridine)(pyrazine)(2,2′:6′,2″-terpyridine)ruthenium(II) Hexafluorophosphate

1996 ◽  
Vol 49 (4) ◽  
pp. 527 ◽  
Author(s):  
PT Gulyas ◽  
TW Hambley ◽  
PA Lay
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
Steric Strain ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Back Bonding

The crystal structure of [ Ru ( terpy )( bpy )( pz )] (PF6)2 has been determined by X-ray diffraction methods and refined to a residual of 0.046 for 1855 independent observed reflections. The crystals are monoclinic, space group P 21/a, a 16.836(7), b 10.778(5), c l9.342(5) Ǻ, β 115.11(3)°. The coordination geometry around the ruthenium(II) ion is distorted octahedral, with the various Ru -N bond lengths indicative of considerable interligand steric strain. The Ru -N pyrazine bond is the longest within the structure, consistent with other evidence that n back-bonding to pyrazine is weak in the complex.

scholarly journals Experimental and computational investigations of a cadmium(II) mononuclear complex with 2,6-Bis(3,5-dimethyl-N-pyrazolyl)pyridine (bdmpp) and selenocyanate as ligands

2009 ◽  
Vol 7 (3) ◽  
pp. 402-409 ◽  
Author(s):  
Sinem Odabaşıoğlu ◽  
Raif Kurtaran ◽  
Akin Azizoglu ◽  
Hülya Kara ◽  
Sevi Öz ◽  
...  
Keyword(s):  
Differential Scanning Calorimetry ◽  
Mononuclear Complex ◽  
Monoclinic Space Group ◽  
Ab Initio Method ◽  
Cadmium Atom ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Dft Methods ◽  
X Ray ◽  
Distorted Octahedral

AbstractA new cadmium (II) complex, [Cd(bdmpp)(SeCN)2(H2O)] (1) (where bdmpp = 2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine), has been synthesized and characterized by elemental and spectral (IR, 1H-NMR and 13C-NMR, UV-Vis) analyses, differential scanning calorimetry, and single crystal X-ray diffraction studies. X-ray analysis showed that the structure was crystallized in the monoclinic space group Cc with a = 9.031(2), b = 13.884(3), c = 16.910(3) Å, and Z = 4. The geometry around the cadmium atom is distorted octahedral with a CdN3Se2O setup. The N atoms of the SeCN are engaged in two strong intermolecular H-bonding interactions forming a 3D supramolecular polymeric network. The geometry and vibrational frequencies of complex 1 computed with the DFT methods (BLYP, B3LYP, B3PW91, MPW1PW91) are in better agreement with experiment than those obtained with the ab-initio method except for the bond angles. The molecular orbital diagram has been also calculated and visualized at the B3LYP/LanL2DZ level of theory.

scholarly journals Diazidobis[2,4-diamino-6-(2-pyridyl)-1,3,5-triazine-κ2N1,N6]zinc(II)

2009 ◽  
Vol 65 (6) ◽  
pp. m622-m622 ◽  
Author(s):  
Qi-Hua Zhao ◽  
Ai-Ling Fan ◽  
Li-Nan Li ◽  
Ming-Jing Xie
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Mononuclear Complex ◽  
Complex Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Azide Ion ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title mononuclear complex, [Zn(N3)2(C8H8N6)2], the ZnIIatom, lying on a twofold rotation axis, is six-coordinated in a distorted octahedral environment by four N atoms from two 2,4-diamino-6-(2-pyridyl)-1,3,5-triazine ligands and two N atoms from two end-on-coordinated azide ions. N—H...N hydrogen bonds between the ligand and azide ion link the complex molecules into a three-dimensional network.

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