scholarly journals Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-κ2 N 2,S}nickel(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m725-m726 ◽  
Author(s):  
Ming-Yueh Tan ◽  
Thahira Begum S. A. Ravoof ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Karen A. Crouse ◽  
Edward R. T. Tiekink
Keyword(s):  
Least Squares ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chelate Ring ◽  
Title Complex ◽  
Planar Geometry ◽  
Square Planar ◽  
Supramolecular Chains ◽  
Chelate Rings

The complete molecule of the title complex, [Ni(C19H21N2OS2)2], is generated by the application of twofold symmetry. The NiII atom is N,S-chelated by two hydrazinecarbodithioate ligands, which provide an N2S2 donor set that defines a distorted square-planar geometry, the S atoms being approximately cis. The conformation of the chelate ring is an envelope with the NiII atom being the flap atom. The dihedral angle between the least-squares planes through the chelate rings = 30.10 (6)°. Supramolecular chains propagated by glide symmetry along the c axis and mediated by C—H...N contacts feature in the crystal packing.

scholarly journals [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m471-m472 ◽  
Author(s):  
R. Prasath ◽  
P. Bhavana ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Packing ◽  
Dihedral Angles ◽  
Planar Geometry ◽  
Porphyrin Ring ◽  
Opposite Orientation ◽  
Porphyrin Complex ◽  
Square Planar ◽  
Supramolecular Chains ◽  
Chelate Rings

The NiIIatom in the title porphyrin complex, [Ni(C36H16Br4N4S4)], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N4donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromothienyl rings are twisted out of the plane of the central N4core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supramolecular chains along [001] are formed through C—H...Br interactions in the crystal packing. Three of the four bromothienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions.

Complexes of hybrid ligands. The synthesis of a thioanisole-substituted fluoro-alcohol and its complexes with Pd2+ and Pt2+; the structure of a palladium(II) complex containing alkoxide, phosphine, thioether, and chloride donors

1987 ◽  
Vol 65 (4) ◽  
pp. 798-803 ◽  
Author(s):  
René T. Boeré ◽  
David E. Esser ◽  
Christopher J. Willis ◽  
Douglas W. Stephan ◽  
Taras W. Obal
Keyword(s):  
Least Squares ◽  
Dihedral Angle ◽  
Chelate Ring ◽  
Monoclinic Space Group ◽  
Structural Determination ◽  
Bond Lengths ◽  
Square Planar ◽  
Planar Molecules ◽  
Hybrid Ligands ◽  
Cis And Trans

The compound 2-thioanisole-1,1,1,3,3,3-hexafluoro-2-propanol, CH3S—C6H4—C(CF3)2OH, HL2, has been prepared, and shown to act (in the ionized form) as a hybrid, chelating, ligand. Neutral bis-complexes M(L2)2 are formed with Pd2+ and Pt2+; the former reacts with PdCl42− to give the Cl-bridged dinuclear complex (L2)Pd(μ-Cl)2Pd(L2), which may in turn be cleaved by PPh3 or PPh2Me to give PdCl(L2)(PR3).A complete structural determination has been made for PdCl(L2)(PPh2Me); C23H20ClF6OPPdS. Crystals are monoclinic, space group P21/n, a = 15.526(5), b = 12.966(9), c = 12.900(8) Å, β = 101.84°, V = 2542(2) Å3, Z = 4. Least-squares refinement on F of 198 variables using 2801 observations converged at R1 = 0.0434, R2 = 0.0559. The complex consists of discrete square-planar molecules with phosphine and alkoxide trans-disposed. Bond lengths are Pd—O, 2.053(3); Pd—P, 2.242(1); Pd—Cl, 2.323(2); Pd—S, 2.252(2) Å. In the six-membered chelate ring, all atoms with the exception of Pd are close to coplanarity; there is a dihedral angle of 127.9° between the O—Pd—S plane and that of the aromatic ring.Multinuclear nmr measurements are used to show that both cis- and trans-forms of complexes PdCl(L2)(PR3) are present in solution, with inversion at coordinated sulfur occurring much more rapidly in the latter.

scholarly journals (2,3-Di-2-pyridylpyrazine-κ2 N 2,N 3)diiodidoplatinum(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m834-m834 ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Layer Structure ◽  
Title Complex ◽  
Maximum Deviation ◽  
Hydrogen Bond Acceptor ◽  
Pyrazine Ring ◽  
Square Planar

The PtII ion in the title complex, [PtI2(C14H10N4)], exists in a distorted square-planar environment defined by the two pyridine N atoms of the chelating 2,3-di-2-pyridylpyrazine ligand and two iodide anions. The pyridine rings are inclined to the least-squares plane of the PtI2N2 unit [maximum deviation = 0.070 (3) Å] at 66.1 (2) and 65.9 (2)°; the pyrazine ring is perpendicular to this plane [dihedral angle = 89.7 (2)°]. Two intermolecular C—H...I hydrogen bonds, both involving the same I atom as hydrogen-bond acceptor, generate a layer structure extending parallel to (001). Molecules are stacked in columns along the a axis. Along the b axis, successive molecules stack in opposite directions.

Partial conversion of thioamide into nitrile in a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone), a drug prototype for Alzheimer's disease

2015 ◽  
Vol 71 (6) ◽  
pp. 430-434 ◽  
Author(s):  
Rafael P. Vieira ◽  
John R. Thompson ◽  
Heloisa Beraldo ◽  
Tim Storr
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Crystal Packing ◽  
Chelate Ring ◽  
Nitrile Group ◽  
Planar Geometry ◽  
Metal Centre ◽  
Thioamide Group ◽  
Square Planar ◽  
Ligand Coordination

This work reports the crystal structure of [(Z)-2-((E)-1-{6-[1-({[amino(sulfanidyl-κS)methylidene]amino}imino-κN)ethyl]pyridin-2-yl-κN}ethylidene)-1-cyanohydrazinido-κN1]copper(II), [Cu(C11H11N7S)], the first description of a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone) showing partial conversion of a thioamide group to a nitrile group. The asymmetric ligand coordinates to the metal centre in anN,N′,N′′,S-tetradentate mannerviathe pyridine N atom, an imine N atom, the hydrazinide N atom and the sulfanidyl S atom, displaying a square-planar geometry. Ligand coordination results in two five-membered chelate rings and one six-membered chelate ring, and in crystal packing based on N—H...N hydrogen bonds of the cyanohydrazinide and hydrazinecarbothioamidate arms of the ligand. The correlation between the partial conversion upon metal complexation, H2S release and possible effects on the activity of bis(thiosemicarbazone)s as drug prototypes for Alzheimer's disease is also discussed.

scholarly journals cis-(Di-2-pyridylamine-κ2N2,N2′)bis(thiocyanato-κS)platinum(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m440-m440
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Complex Molecules ◽  
Square Planar ◽  
Supramolecular Chains ◽  
Planar Environment

In the title complex, [Pt(NCS)2(C10H9N3)], the PtIIion is four-coordinated in a distorted square-planar environment by the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two mutuallycisS atoms from two linear thiocyanate anions. The dpa ligand is not planar, the dihedral angle between the pyridine rings being 30.8 (4)°. In the crystal, the complex molecules are stacked in columns along theaaxis and are connected by intermolecular N—H...N hydrogen bonds, forming supramolecular chains along thebaxis.

scholarly journals Bis(azido-κN)(di-2-pyridylamine-κ2N2,N2′)palladium(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m519-m519
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Complex ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Coordination Environment ◽  
Square Planar

In the title complex, [Pd(N3)2(C10H9N3)], the PdIIion is in a slightly distorted square-planar coordination environment. The ligator atoms comprise the two pyridine N atoms of the chelating di-2-pyridylamine (dpa) ligand and two N atoms from two azide anions. The dpa ligand coordinates the Pd atom in a boat conformation, the dihedral angle between the pyridine rings being 24.4 (1)°. The pyridine rings are somewhat inclined to the least-squares plane of the PdN4unit, making dihedral angles of 29.02 (9) and 26.47 (9)°. The azide ligands are slightly bent, with N—N—N angles of 173.0 (4) and 174.2 (4)°. In the crystal, molecules are connected by N—H...N and C—H...N hydrogen bonds, forming chains along thecaxis. When viewed down thebaxis, successive chains are stacked in opposite directions. Intramolecular C—H...N hydrogen bonds are also observed.

scholarly journals Bis[S-hexyl (E)-3-(4-methoxybenzylidene)dithiocarbazato-κ2N3,S]palladium(II)

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
E. Zangrando ◽  
M. S. Begum ◽  
M. B. H. Howlader ◽  
M. C. Sheikh ◽  
R. Miyatake
Keyword(s):  
Schiff Base ◽  
Chelate Ring ◽  
Title Complex ◽  
Planar Geometry ◽  
Inversion Center ◽  
Schiff Base Ligands ◽  
Complex Molecules ◽  
Planar Configuration ◽  
Square Planar ◽  
The Mean

In the title complex, [Pd(C15H21N2OS2)2], the PdIIion is located on a crystallographic inversion center. The two Schiff base ligands in a deprotonated imino thiolate form chelate the metal atomviathe azomithine N and thiolate S atoms in atrans-square-planar configuration as imposed by the crystal symmetry. The complex has an approximately planar geometry with the exception of the hexyl chains; the mean plane of the five-membered chelate ring makes a dihedral angle of 15.43 (5)° with the benzene ring. In the crystal, the complex molecules are stacked along theaaxis.

scholarly journals The crystal structure of ((cyclohexylamino){(Z)-2-[(E)-5-methoxy-3-nitro-2-oxidobenzylidene-κO]hydrazin-1-ylidene-κN 2}methanethiolato-κS)(dimethyl sulfoxide-κS)platinum(II): a supramolecular two-dimensional network

2019 ◽  
Vol 75 (10) ◽  
pp. 1486-1489
Author(s):  
Md. Azharul Arafath ◽  
Huey Chong Kwong ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Dimethyl Sulfoxide ◽  
Chelate Ring ◽  
Title Complex ◽  
Planar Geometry ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Bite Angle ◽  
Dimensional Network ◽  
Square Planar

The PtII atom in the title complex, [Pt(C15H18N4O4S)(C2H6OS)], exists within a square-planar NS2O donor set provided by the N, S, O atoms of the di-anionic tridentate thiosemicarbazo ligand and a dimethyl sulfoxide S atom. The two chelate rings are coplanar, subtending a dihedral angle of 1.51 (7)°. The maximum deviation from an ideal square-planar geometry is seen in the five-membered chelate ring with an S—Pt—S bite angle of 96.45 (2)°. In the crystal, molecules are linked via N—H...O, C—H...O, C—H...N and C—H...π interactions into two-dimensional networks lying parallel to the ab plane. The conformations of related cyclohexylhydrazine-1-carbothioamide ligands are compared to that of the title compound.

scholarly journals Crystal structure of dichloridobis(dimethylN-cyanodithioiminocarbonate)cobalt(II)

2016 ◽  
Vol 72 (1) ◽  
pp. 66-68 ◽  
Author(s):  
Mouhamadou Birame Diop ◽  
Libasse Diop ◽  
Allen G. Oliver
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Dihedral Angle ◽  
Triple Bond ◽  
Crystal Packing ◽  
Title Complex ◽  
Organic Ligands ◽  
Π Stacking ◽  
Centroid Distance

The structure of the mononuclear title complex, [{(H3CS)2C=NC[triple-bond] N}2CoCl2], consists of a CoIIatom coordinated in a distorted tetrahedral manner by two Cl−ligands and the terminalNatoms of two dimethylN-cyanodithioiminocarbonate ligands. The two organic ligands are almost coplanar, with a dihedral angle of 5.99 (6)° between their least-squares planes. The crystal packing features pairs of inversion-related complexes that are held together through C—H...Cl and C—H...S interactions and π–π stacking [centroid-to-centroid distance = 3.515(su?)Å]. Additional C—H...Cl and C—H...S interactions, as well as Cl...S contacts < 3.6 Å, consolidate the crystal packing.

scholarly journals 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (7) ◽  
pp. o766-o767 ◽  
Author(s):  
Fatmah A. M. Al-Omary ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that encloseR22(8) loops. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent dimeric units into supramolecular chains extending along thea-axis direction.

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