scholarly journals Complexes of Mn(II) with imidazole and 2-thiophene acetic acid ligands

2014 ◽  
Vol 70 (a1) ◽  
pp. C1794-C1794
Author(s):  
M'hamed Boudraa ◽  
Hasna Bouchareb ◽  
Sofiane Bouacida ◽  
Hocine Merazig
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Bond Distance ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
Bond Lengths ◽  
Manganese Ion ◽  
Square Planar ◽  
Elemental Analyses

The reactions of 2-thiophene acetic acid and imidazole with manganese (II) chloride resulted in mononuclear [Mn(C6H5O2S)2(C3H4N2)6] (1), or binuclear [Mn2(C6H5O2S)4(C3H4N2)4] (2) and [Mn2(C6H5O2S)4(C3H4N2)4(H2O)] (3) complexes. In the complex (1), the Mn ion is octahedral coordinated by six nitrogen atoms from six imidazole rings and the Mn-O bond lengths are in the range 2.261(4) to 2.275(6) Å. The crystal packing is stabilized by weak C-H...O and N-H...O hydrogen bonds. In the structure of (2), the asymmetric unit is formed from an Mn ion bonded to two N atoms from two imidazole ligands and to three O atoms from three different thiophene acetic acid ligands. Two of these ligands are deprotonated and bridge by the same oxygen atoms between the second manganese ion giving rise to an binuclear complex. In this complex, each Mn cation is located in a slightly distorted square-planar environment and the Mn-N bond lengths are in the range 1,960(3) to 1.976(2) Å. The Mn-O bonds lengths in the square base of the two pyramids are in the range 1.956(5) to 2.000(1) Å. The Mn-O axial bond distance is quite longer than the Mn-O equatorial bond distances and is 2.458(2)Å [1,2]. The crystal packing is stabilized by weak C-H...O and N-H...O hydrogen bonds forming connected layers parallel to (001) planes. When an oxygen of one molecule of water bridges the two metal centers in the complex (2), the environment of the two Mn becomes octahedral and thus we obtain the complex (3). In this latter complex, the Mn-N bonds are in the range 2.192(4) to 2.245(4). All Mn-O bonds are between 2.148(6) and 2.232(7)Å. All structures are disordered in all thiophenyl rings occupy alternatively two positions related to one another by an 180o rotation about the C–C sigma bond [3]. The sulfur and one carbon atom of the ring occupy the same position. The complexes were structurally characterized by single crystal X-ray diffraction analyses, infrared spectroscopy (IR), elemental analyses and thermogravimetric analyses (TGA). Cristal data: (1): MnC30H34N12O4S2 in C2/c, a=11.3492(6), b=13.9186(7), c=22.2101(13), beta= 94.963(4) (2): Mn2C36H36N8O8S4 in P21/n, a=15.996(2), b=10.274(13), c=26.141(3), beta=97.715(9) (3): Mn2C24H38N8O9S4 in P21/n, a=26.206(2), b=8.5421(8), c=19.0694(17), beta= 92.229(4)

Two New Quadridentate Schiff Base Complexes of Nickel(II) and Cobalt(III): Synthesis, Structure and Spectral Characterisation

2006 ◽  
Vol 61 (10) ◽  
pp. 1209-1216 ◽  
Author(s):  
Joy Chakraborty ◽  
Raj K. Bhubon Singh ◽  
Brajagopal Samanta ◽  
Chirantan Roy Choudhury ◽  
Subrata K. Dey ◽  
...  
Keyword(s):  
Schiff Base ◽  
Schiff Base Complexes ◽  
Planar Geometry ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
Cell Parameters ◽  
Square Planar ◽  
Elemental Analyses ◽  
Spectral Characterisation

Two novel quadridentate Schiff base complexes, [NiIILH](ClO4)2・H2O (1) and [CoIIIL]- (ClO4)2・H2O (2) [LH, a Schiff base ligand: Ph(OH)C(Me)=NCH2CH2N(CH2CH2NH2)2] have been synthesised and characterised by elemental analyses, spectroscopic and electrochemical studies. The structures of both have been unequivocally established from single crystal X-ray diffraction studies. 1 and 2 crystallise in the monoclinic space group P21/n having cell parameters a = 8.536(1), b = 13.832(4), c = 18.194(2) Å , β = 100.00(10)°, Z = 4 for 1, and a = 10.819(5), b = 14.301(2), c=14.224(1) Å , β =97.04(2)°, Z =4 for 2. The complexes expose a square planar geometry around the metal centers chelated with three different types of nitrogen donor centers of the ligand.

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

scholarly journals Copper(II) and Zinc(II) Complexes Derived from N,N’-Bis(4-bromosalicylidene)propane-1,3-diamine: Syntheses, Crystal Structures and Antimicrobial Activity

2021 ◽  
Vol 68 (1) ◽  
pp. 102-108
Author(s):  
Yu-Mei Hao
Keyword(s):  
Escherichia Coli ◽  
Antimicrobial Activity ◽  
Candida Parapsilosis ◽  
Antibacterial Activities ◽  
X Ray Diffraction ◽  
Deprotonated Form ◽  
X Ray ◽  
Square Planar ◽  
Vis Spectroscopy ◽  
Elemental Analyses

A mononuclear copper(II) complex, [CuL] (1), and a phenolato-bridged trinuclear zinc(II) complex, [Zn3Cl2L2(DMF)2] (2), where L is the deprotonated form of N,N’-bis(4-bromosalicylidene)propane-1,3-diamine (H2L), have been prepared and characterized by elemental analyses, IR and UV-Vis spectroscopy, and single crystal X-ray diffraction. The Cu atom in complex 1 is in square planar coordination, while the terminal and central Zn atoms in complex 2 are in square pyramidal and octahedral coordination, respectively. The antibacterial activities of the complexes have been tested on the bacteria Staphylococcus aureus and Escherichia coli, and the yeast Candida parapsilosis.

scholarly journals Crystal structure of 2,2′-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)

2014 ◽  
Vol 70 (9) ◽  
pp. o895-o896
Author(s):  
Ulrich Flörke ◽  
Adam Neuba ◽  
Jochen Ortmeyer ◽  
Gerald Henkel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Bond Lengths ◽  
Compound C

In the structure of the title compound, C46H37N3O4S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—Cbenzyland a long [1.8820 (15) Å] S—Ctritylbond and the C—S—C angle is 108.40 (7)°. N—C bond lengths around the azane N atom are in the range 1.454 (2)–1.463 (2) Å. he crystal packing exhibts two rather `non-classical' C—H...O hydrogen bonds that result in stacking of the molecules along theaas well as thebaxis and give rise to columnar sub-structures.

[(1RS,4RS)-5,5,7,13,15,15-Hexamethyl-1,4,8,12-tetraazacyclopentadeca-7,12-diene-N1,N4,N8,N12]nickel(II) diperchlorate

2000 ◽  
Vol 57 (1) ◽  
pp. m48-m50 ◽  
Author(s):  
Neil F. Curtis ◽  
Joyce M. Waters ◽  
Clifton E. Rickard
Keyword(s):  
Hydrogen Bonds ◽  
Ground State ◽  
Title Compound ◽  
Molecular Clusters ◽  
Singlet Ground State ◽  
Bond Lengths ◽  
Square Planar

The title compound, [Ni(C17H34N4)](ClO4)2, has singlet ground-state nickel(II) complex cations in tetrahedrally twisted square-planar coordination by the four N atoms of the 15-membered diamine diimine tetraazamacrocycle and disordered perchlorate anions, linked into molecular clusters by N—H...O hydrogen bonds and weak Ni...O interactions. The cation has approximate twofold symmetry, with bond lengths Ni—Namineof 1.920 (2) and 1.924 (2) Å, and Ni—Nimineof 1.915 (2) and 1.929 (2) Å, andtrans–N—Ni—N angles of 165.1 (1) and 163.4 (1)°, with the shortest Ni...O distance being 3.27 (3) Å.

scholarly journals Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β3,3Ac6c) in N-protected derivatives

2014 ◽  
Vol 70 (11) ◽  
pp. 272-277
Author(s):  
Naiem Ahmad Wani ◽  
Vivek K. Gupta ◽  
Rajni Kant ◽  
Subrayashastry Aravinda ◽  
Rajkishor Rai
Keyword(s):  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
X Ray Diffraction ◽  
Axis Direction ◽  
Centroid Distance ◽  
Ring Centroid ◽  
Ribbon Structures ◽  
Derivatives Of

N-Protected derivatives of 1-aminocyclohexaneacetic acid (β3,3-Ac6c), namely Valeroyl-β3,3-Ac6c-OH [2-(1-pentanamidocyclohexyl)acetic acid, C13H23NO3], (I), Fmoc-β3,3-Ac6c-OH [2-(1-{[(9H-fluoren-9-yloxy)carbonyl]amino}cyclohexyl)acetic acid, C23H25NO4], (II), and Pyr-β3,3-Ac6c-OH {2-[1-(pyrazine-2-amido)cyclohexyl]acetic acid, C13H17N3O3}, (III), were synthesized and their conformational properties were determined by X-ray diffraction analysis. The backbone torsion angles (ϕ, θ) for β3,3-Ac6c-OH are restricted togaucheconformations in all the derivatives, with a chair conformation of the cyclohexane ring. In the crystal structure of (I), the packing of molecules shows both carboxylic acidR22(8) O—H...O and centrosymmetricR22(14) N—H...O hydrogen-bonding interactions, giving rise to chains along thec-axis direction. In (II), centrosymmetric carboxylic acidR22(8) O—H...O dimers are extended through N—H...O hydrogen bonds and together with inter-ring π–π interactions between Fmoc groups [ring centroid distance = 3.786 (2) Å], generate a layered structure lying parallel to (010). In the case of compound (III), carboxylic acid O—H...Npyrazinehydrogen bonds give rise to zigzag ribbon structures extending along thec-axis direction.

scholarly journals [1,2-Bis(diphenylphosphanyl)ethane-κ2 P,P]chlorido(isonicotinamide-κN)palladium(II) nitrate acetonitrile monosolvate

IUCrData ◽  
2021 ◽  
Vol 6 (11) ◽  
Author(s):  
Rafael A. Adrian ◽  
Bradley J. Lagemann ◽  
Hadi D. Arman
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Crystal Packing ◽  
Central Atom ◽  
Title Complex ◽  
Pyridyl Ring ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Square Planar ◽  
Chloride Ligand

The PdII central atom in the title complex, [PdCl(C26H24P2)(C6H6N2O)]NO3·CH3CN or [PdCl(dppe)(INAM)]NO3·CH3CN, where dppe is 1,2-bis(diphenylphosphanyl)ethane and INAM is isonicotinamide, exists in a slightly distorted square-planar environment defined by the two P atoms of the dppe ligand, a chloride ligand and the N atom of the isonicotinamide pyridyl ring. The crystal packing in the structure is held together by hydrogen bonds between the amide of the INAM ligand and the nitrate ions that complete the outer coordination sphere. A molecule of acetonitrile is also found in the asymmetric unit of the title complex.

scholarly journals Reactions of Pentaphenylantimony and Penta-Para-Tolylanimony with Calixarene [4-t-BuC6H2OH(S-2)]4

2021 ◽  
Vol 13 (1) ◽  
pp. 47-57
Author(s):  
A.N. Efremov ◽  
◽  
V.V. Sharutin
Keyword(s):  
Hydrogen Bonds ◽  
Antimony Atom ◽  
Tetrahedral Coordination ◽  
X Ray Diffraction ◽  
Deprotonated Form ◽  
X Ray ◽  
Bond Lengths ◽  
Tert Butyl ◽  
Average Value ◽  
Intramolecular Hydrogen

Pentaphenylantimony and penta-para-tolylantimony react with calixarene [4-t-BuC6H2OH(S-2)]4 (СArH) by way of arene elimination and formation of the [Ph4Sb]+[СAr]- × TolH (1), [p-Tol4Sb]+[CAr]- × H2O (2) ionic products with a yield up to 96%. The compound has been identified by IR spectroscopy and X-ray diffraction analysis. According to the X-ray diffraction data, compounds 1 and 2 are ionic complexes with solvate molecules of toluene (1) and water (2). The cation has a tetrahedral coordination of the antimony atom with aryl ligands at the polyhedron vertices; the anion is represented by the deprotonated form of p-tert-butylthiacalix[4]arene. The three tert-butyl groups, the phenyl ring and solvated toluene in the structure of compound 1, and two tert-butyl fragments in the structure of compound 2 are disordered over two positions. The tetrahedral coordination of antimony atoms in the cations of compounds 1 and 2 is slightly distorted. The CSbC angles deviate from the theoretical value and vary within 106.0(4)−117.7(4)° (1), 105.75(15)−112.84(15)° (2). The average Sb–C bond lengths are 2.101(3) and 2.106(4) Å in structures 1 and 2, respectively. The [СAr]- anion is in the cone conformation, the upper rim of which is represented by the tert-butyl groups in the para-position, while the lower one is represented by hydroxy groups, one of which is deprotonated. The СAr–O– bond length (1.318(4) (1) and 1.326(4) (2) Å) is less than the average value of the СAr–OH bond lengths (1.338(4) (1) and 1.343(4) (2) Å), which indicates increasing multiplicity of the bond and localization of a negative charge on the oxygen atom. Intramolecular hydrogen bonds with the neiboring O atom are observed. The H∙∙∙O distances are 2.16, 1.69, 1.77 Å in 1 and 1.92, 1.79, 1.76 Å in 2. Dihedral angles between opposite phenoxide rings are 60.64° and 87.07° (1) and 83.85° and 80.42° (2), which indicates somewhat less symmetric anion in structure 1 than in structure 2. The formation of the crystal spatial structure is due to the formation of hydrogen bonds between ions with participation of oxygen and sulfur atoms, as well as СН∙∙∙π–interactions, while the ions form chains in the crystal of compound 1, and layers in the crystal of compound 2. Complete tables of atom coordinates, bond lengths and valence angles are deposited at the Cambridge Crystallographic Data Center (No. 1850118 (1); No. 2013220 (2); [email protected] or http://www.ccdc.cam.ac.uk/data_request/cif).

(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime

2006 ◽  
Vol 62 (5) ◽  
pp. o1946-o1947
Author(s):  
Xiang Li ◽  
Da-Min Tian
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C9H10BrNO3, which exists as the E isomer, crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are normal. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, which link the molecules into circular tetramers, and by weak π–π stacking interactions.

scholarly journals New platinum(II) complexes with benzothiazole ligands

2016 ◽  
Vol 72 (3) ◽  
pp. 412-416 ◽  
Author(s):  
José A. Carmona-Negrón ◽  
Mayra E. Cádiz ◽  
Curtis E. Moore ◽  
Arnold L. Rheingold ◽  
Enrique Meléndez
Keyword(s):  
Single Crystal ◽  
Metal Atom ◽  
Cancer Chemotherapy ◽  
Potential Application ◽  
Dihedral Angles ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
Square Planar

Four new platinum(II) complexes, namely tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C8H7NS)] (1), tetraethylammonium tribromido(6-methoxy-2-methyl-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C9H9NOS)] (2), tetraethylammonium tribromido(2,5,6-trimethyl-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C10H11NS)] (3), and tetraethylammonium tribromido(2-methyl-5-nitro-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C8H6N2O2S)] (4), have been synthesized and structurally characterized by single-crystal X-ray diffraction techniques. These species are precursors of compounds with potential application in cancer chemotherapy. All four platinum(II) complexes adopt the expected square-planar coordination geometry, and the benzothiazole ligand is engaged in bonding to the metal atom through the imine N atom (Pt—N). The Pt—N bond lengths are normal: 2.035 (5), 2.025 (4), 2.027 (5) and 2.041 (4) Å for complexes1,2,3and4, respectively. The benzothiazole ligands are positioned out of the square plane, with dihedral angles ranging from 76.4 (4) to 88.1 (4)°. The NEt4cation in3is disordered with 0.57/0.43 occupancies.

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