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.

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(3-methylthiophen-2-yl)porphyrinato-κ4N,N′,N′′,N′′′]nickel(II) benzene hemisolvate

2013 ◽  
Vol 69 (12) ◽  
pp. m652-m653
Author(s):  
R. Prasath ◽  
P. Bhavana ◽  
Sushil K. Gupta ◽  
Ray J. Butcher
Keyword(s):  
Title Compound ◽  
Solvent Molecule ◽  
Dihedral Angles ◽  
Planar Geometry ◽  
Porphyrin Ring ◽  
Square Planar ◽  
Chelate Rings

In the title compound, [Ni(C40H28N4S4)]·0.5C6H6, the NiIIatom 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 16.24 (5)–22.47 (5)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 21.36 (4) and 23.87 (4)°; each pair of rings is oriented in opposite directions. The methylthienyl rings are twisted out of the plane of the central N4core with dihedral angles in the range 75.98 (2)–88.70 (5)°. All four methylthienyl groups are disordered over two sets of sites, as is commonly found with such groups, with occupancies of 0.553 (8):0.447 (8), 0.579 (7):0.421 (7), 0.796 (6):0.204 (6) and 0.956 (7):0.044 (7). The benzene solvent molecule was found to be present in half-occupancy.

scholarly journals 1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1793-o1794
Author(s):  
Ignez Caracelli ◽  
Paulo R. Olivato ◽  
Carlos R. Cerqueira Jr ◽  
Jean M. M. Santos ◽  
Seik Weng Ng ◽  
...  
Keyword(s):  
Phenyl Ring ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Twisted Boat ◽  
Supramolecular Chains

The piperidone ring in the title compound, C18H19NOS2, is in a distorted half-chair conformation, distorted towards a twisted boat, with the central methylene C atom of the propyl backbone lying 0.606 (2) Å out of the plane defined by the other five atoms (r.m.s. deviation = 0.1197 Å). One of the S-bound phenyl rings is almost perpendicular to the least-squares plane through the piperidone ring, whereas the other is splayed [dihedral angles = 75.97 (6) and 44.21 (7)°, respectively]. The most prominent feature of the crystal packing is the formation of helical supramolecular chains along the b axis sustained by C—H...O interactions. The chains are consolidated into a three-dimensional architecture via C—H...π interactions whereby one S-bound phenyl ring accepts two C—H...π contacts.

Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ3 O,N,S}nickel(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2740-m2740 ◽  
Author(s):  
Purak Das ◽  
Achintesh Narayan Biswas
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
Planar Geometry ◽  
Π Interactions ◽  
Square Planar ◽  
Cl Atom

The Ni atom in the title compound, [Ni(C17H19N2S)Cl], is tetracoordinated by a naphtholate O atom, a diazene N atom, a Cl atom and an S atom in an approximately square-planar geometry. The crystal packing is stabilized by one intermolecular C—H...Cl interaction and two intermolecular π–π interactions; the centroid-to-centroid distances are 3.745 (3) and 3.744 (3) Å, and the corresponding perpendicular distances are 3.528 and 3.541 Å, respectively.

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.

Heterotridentate organodiphosphines in Pt(η3–P1X1P2)(Y) derivatives-structural aspects

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Milan Melník ◽  
Peter Mikuš
Keyword(s):  
Central Atom ◽  
Donor Ligands ◽  
Planar Geometry ◽  
Cooperative Effects ◽  
Square Planar ◽  
Structural Aspects ◽  
Chelate Rings

Abstract This review covers over 30 examples of monomeric Pt(II) complexes of the types: Pt(η3–P1O1P2)(Y) (Y = PL, CL, OL), Pt(η3–P1N1P2)(Y) (Y = H, NL, CL, Cl, PL) and Pt(η3–P1P2N1)(Y) (Y = Cl). The heterotridentate donor ligands create 11 types of a couple chelate rings with common central atom O1 (η3–P1O1P2), N1 (η3–P1N1P2) and P2 (η3–P1P2N1). The most frequent is P1C2N1C2P2. Some cooperative effects between chelate rings and Y donor ligands were found and discussed. A degree of distortions of square-planar geometry about Pt(II) were also calculated.

scholarly journals A Ternary Nickel(II) Schiff Base Complex Containing Di-anionic and Neutral Forms of a Dithiocarbazate Schiff Base

Molbank ◽  
10.3390/m1057 ◽  
2019 ◽  
Vol 2019 (2) ◽  
pp. M1057 ◽  
Author(s):  
Yusof ◽  
Nasri ◽  
Ravoof ◽  
Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Three Dimensional ◽  
Schiff Base Complex ◽  
Planar Geometry ◽  
Neutral Form ◽  
X Ray ◽  
Niii Complex ◽  
Square Planar ◽  
Supramolecular Chains

The title NiII complex, Ni(L)(LH2) (1), where LH2 is S-2-methybenzyl-β-N-(2-hydroxy-3-methoxybenzylmethylene) dithiocarbazate, was isolated from the reaction of Ni(acetate)2·4H2O and two molar equivalents of LH2. The complex was characterized by elemental analysis, spectroscopy (IR and UV) as well as by a single-crystal X-ray structure determination. The nickel(II) center is coordinated within a cis-NOS2 donor set that defines a square planar geometry. Three donor atoms, i.e., N, O, and S, are provided by a doubly deprotonated S-2-methybenzyl-β-N-(2-hydroxy-3-methoxybenzylmethylene) dithiocarbazate ligand while the fourth donor, i.e., a thione-S, comes from the neutral form of the dithiocarbazate ligand. In the LH2 ligand, an intramolecular hydroxy-O-H…N(imine) hydrogen bond is found. There is also an intra-ligand, charge assisted amine-N-H…O(phenoxide) hydrogen bond. A notable feature of the molecular packing is the formation of supramolecular chains sustained by π…π stacking interactions whereby the interacting rings are the five- and six-membered chelate and methoxybenzene rings. The chains are connected into a three-dimensional architecture by methyl-C-H…O(methoxy), methoxy-C-H…S(ester), and tolyl-C-H…π(tolyl) interactions.

scholarly journals Crystal structure of [2,13-bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-κ4 N]silver(II) dinitrate from synchrotron X-ray data

2018 ◽  
Vol 74 (4) ◽  
pp. 461-464 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Planar Geometry ◽  
Nitrate Anion ◽  
Asymmetric Unit ◽  
Weakly Bound ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Nitrate Anions

The asymmetric unit of the title compound, [Ag(C24H46N6O2)](NO3)2 [C24H46N6O2 is (5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-2,13-diyl)diacetamide, L], consists of one independent half of the [Ag(C24H46N6O2)]2+ cation and one nitrate anion. The Ag atom, lying on an inversion centre, has a square-planar geometry and the complex adopts a stable trans-III conformation. Interestingly, the two O atoms of the pendant acetamide groups are not coordinated to the AgII ion. The longer distance of 2.227 (2) Å for Ag—N(tertiary) compared to 2.134 (2) Å for Ag—N(secondary) may be due to the effects of the attached acetamide group on the tertiary N atom. Two nitrate anions are very weakly bound to the AgII ion in the axial sites and are further connected to the ligand of the cation by N—H...O hydrogen bonds. The crystal packing is stabilized by hydrogen-bonding interactions among the N—H donor groups of the macrocycle and its actetamide substituents, and the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms.

scholarly journals Crystal and molecular structure of bis(N-(diethylcarbamothioyl)cyclohexane carboxamido)copper(II) complex

2020 ◽  
Vol 11 (4) ◽  
pp. 319-323
Author(s):  
Cemal Koray Ozer ◽  
Gun Binzet ◽  
Hakan Arslan
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Structural Index ◽  
Cell Parameters ◽  
Square Planar ◽  
Puckering Parameters

Herein, we describe the synthesis and characterization of bis(N-(diethylcarbamothioyl)cyclohexane carboxamido)copper(II) complex, cis-[Cu(L-κ2S,O)2], has been prepared by the reaction of N-(diethyl carbamothioyl)cyclohexanecarboxamide ligand with copper(II) acetate. The green colored crystals of the complex were obtained by slow evaporation of their dichloromethane:ethanol solution (2:1, v:v). The crystal structure of cis-[Cu(L-κ2S,O)2] was obtained by single-crystal X-ray diffraction. The crystal structure reveals an monoclinic C2 (no. 5) space group with cell parameters a = 14.848(3) Å, b = 10.543(2) Å, c = 10.511(2) Å, β = 123.84(3)°, V = 1366.7(7) Å3, Z = 2, T = 153(2) K, μ(MoKα) = 0.979 mm-1, Dcalc = 1.327 g/cm3, 4979 reflections measured (6.6° ≤ 2Θ ≤ 50.68°), 2243 unique (Rint = 0.0223, Rsigma = 0.0444) which were used in all calculations. The final R1 was 0.0225 (>2sigma(I)) and wR2 was 0.0490 (all data). The angular structural index parameter, τ4, is equal to 0.40, which confirms the distorted square planar geometry for the title compound. The puckering parameters (q2 = 0.015(3) Å, q3 = 0.576(3) Å, QT = 0.577(3) Å, θ = 1.6(3)° and φ = 20(11)°) of the title complex show that the cyclohexane ring adopts a chair conformation. The two ethyl groups of the diethyl amine group have anti-orientation with respect to one another. The crystal packing shows the molecules stacked in parallel sheets along [010], accompanied by C3-H3A···O1ⁱ (i -x, +y, 1-z) intermolecular contact.

scholarly journals Crystal structure of [5-bromo-2-(pyridin-2-yl-κN)phenyl-κC1](pentane-2,4-dionato-κ2O,O′)platinum(II)

2015 ◽  
Vol 71 (10) ◽  
pp. 1259-1261
Author(s):  
Keito Fukuda ◽  
Tomoaki Sugaya ◽  
Koji Ishihara
Keyword(s):  
Crystal Structure ◽  
Dihedral Angles ◽  
Coordination Environment ◽  
Π Interactions ◽  
Square Planar ◽  
Chelate Rings

The title cyclometalated platinum(II) complex with 2-(4-bromophenyl)pyridinato and acetylacetonato ligands, [Pt(C11H7BrN)(C5H7O2)], consists of two crystallographically non-equivalent dimers, each stacked by π–π interactions with distances of ≃ 3.4 Å. In both dimers, the platinum(II) complexes are arranged antiparallel to each other. Each complex exhibits a slightly distorted square-planar coordination environment around the central Pt(II) atom. The dihedral angles between two chelate rings including the PtIIatom in these complexes are 0.08 (12) and 1.54 (9)°.

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