The Synthesis and Crystal Structures of Two Cobalt(III) Complexes Containing the Ligand 1,4,8,11-Tetraazacyclotetradecane

2002 ◽  
Vol 55 (8) ◽  
pp. 535 ◽  
Author(s):  
A. M. Funston ◽  
W. D. McFadyen ◽  
P. A. Tregloan
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Triclinic Space Group ◽  
Space Group ◽  
Octahedral Environment ◽  
Related Complex

The new cobalt(III) complex [Co(cyclam)(NO3)2]NO3�HNO3 (2) has been synthesized. The crystal structure of this complex and the related complex [Co(cyclam)(NH3)2]Cl2BF4�2H2O (1) have been determined. Crystal data for (1): M 451.04, monoclinic, space group P21/c (No. 14), a 7.3927(10), b 13.3082(7), c 19.524(2) Å, β 97.625(14)�, V 1903.9(3) Å3, F(000) 936, Z 4, Dc 1.574 g cm–3, μ 1.225 cm–1, Mo Kα (graphite monochromatized) λ 0.71073 Å, T 293(1) K. Crystal data for (2): M 571.33, triclinic, space group P1–(No. 2),a 7.3988(14), b 8.5682(16), c�9.209(3) Å, α 89.02(2), β 76.64(3), γ 82.340(16)�, V 562.9(2) Å3, F(000) 296, Z 1, Dc 1.685 g cm–3, μ 0.854 cm–1, Mo Kα (graphite monochromatized) λ 0.71073 Å, T 293(1) K. In both complexes the complex crystallizes in the trans-III form with the cobalt in the usual octahedral environment.

The Preparation of a Mixed-Ligand Cobalt(III) Complex of DPPZ and Ethylenediamine: Crystal Structures of [Co(en)2(DPPZ)] (ClO4)3.0·5H2O, [Co(en)2(bpy)]Br(ClO4)2 and [Co(en)2(phen)] Br3

1999 ◽  
Vol 52 (8) ◽  
pp. 817 ◽  
Author(s):  
Alison M. Funston ◽  
Robert W. Gable ◽  
W. David McFadyen ◽  
Peter A. Tregloan
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Mixed Ligand ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Triclinic Space Group ◽  
Space Group ◽  
Octahedral Environment

The complex [Co(en)2(DPPZ)] (ClO4)3 (3) has been synthesized, and the crystal structures of this complex and those of [Co(en)2(bpy)] Br(ClO4)2 (1) and [Co(en)2(phen)] Br3 (2) have been determined. Crystal data for (1): M 614 . 13, monoclinic, space group C2/c (No. 15), a 16 . 7834(16), b 16 . 308(3), c 8 . 3167(15) Å, β 104 . 932(11)°, V 2199 . 4(6) Å, F(000) 1240, Z 4, Dc 1 . 855 g cm−3, µ 2 . 895 cm−1 , Mo Kα (graphite monochromatized) radiation, γ 0 . 71073 Å, T 293(1) K. Crystal data for (2): M 599 . 07, triclinic, space group P1 (No. 2), a 7 . 7113(11), b 10 . 633(2), c 12 . 9884(18) Å, α 85 . 745(15), b 78 . 258(11), γ 74 . 967(16)°, V 1006 . 7(3) Å, F(000) 588, Z 2, Dc 1 . 976 g cm−3, µ6 . 819 cm−1 , MoKα (graphite monochromatized) radiation, γ 0 . 71073 Å, T 293(1) K. Crystal data for (3): M 773 . 44, monoclinic, space group P 21/c (No. 14), a 20 . 296(2), b 9 . 6197(11), c 15 . 725(2) Å, β 92 . 850(10)°, V 3066 . 4(6) Å, F(000) 1579, Z 4, Dc 1 . 675 g cm−3 , µ 0 . 898 cm−1 , MoKα(graphite monochromatized) radiation, γ 0 . 71073 Å, T 293(1) K. In all three complexes the cobalt is in the usual octahedral environment, with the cations being linked by hydrogen bonds between the amine hydrogens and the anions into extended structures.

Untersuchungen an Polyhalogeniden, XXXVI. Zur Kenntnis des Oktaiodid-Ions I82-: Darstellung und Kristallstruktur des [(Crypt-2.2.2)H2]l8, des [Ni(phen)3]I8 · 2CHCl3 und der Bis(N-alkylurotropinium) oktaiodide (UrR)2I8 mit R = Methyl und Ethyl / Studies on Polyhalides, XXXVI. On the Octaiodide Ion I82-: Preparation and Crystal Structure of [(Crypt-2.2.2)H2]I8, of [Ni(phen)3]I8-2CHCl3 and of the Bis(N-alkylurotropinium)octaiodides (UrR)2I8 with R = methyl and ethyl

1998 ◽  
Vol 53 (7) ◽  
pp. 641-652 ◽  
Author(s):  
Arista Gräfe-Kavoosian ◽  
Shida Nafepour ◽  
Klaus Nagel ◽  
Karl-Friedrich Tebbe
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Iodine Molecule ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group

Abstract The new compound [(Crypt-2.2.2)H2]I8 has been prepared by the reaction of [(Crypt-2.2.2)H2](I3)2 with iodine in methanol. It crystallizes in the orthorhombic space group Pbcn with a = 11.476 (2), b = 13.589 (2), c = 22.888 (2) Å and Z = 4. The crystal structure has been refined to RF = 0.031 for 1618 reflections. It may be described as a layerlike packing of octaiodide anions I82-and diprotonated 2.2.2-Crypt as cations. The non planar octaiodide anion is built up from two triiodide groups and a bridging iodine molecule.Tris(1, 10-phenanthroline)nickel(II) octaiodide bis(chloroform) crystallizes in the monoclinic space group P21/n with a = 11.683 (8), b = 21.717 (8), c = 20.752 (5) Å, β = 95.03 (5)° and Z = 4 formula units. The crystal structure has been refined to RF = 0.058 for 3894 reflections. The structure consists of two chloroform molecules, octahedrally coordinated complex cations [Ni(phen)3]2+ and nonplanar octaiodide anions I82- each composed of two asymmetric triiodide units I3- weakly associated with an elongated bridging iodine molecule I2.The already known structure of bis(N-methylurotropinium) octaiodide, (UrMe)2I8, has been verified and more accurate crystal data have been collected. The crystal structure has been refined to RF = 0.045 for 1908 reflections. The compound crystallizes in the monoclinic space group P21/c with a = 11.302 (2), b = 9.850 (2), c = 14.188 (2) Å , β = 92.59 (1)° and Z = 2. The anion has the shape of a stretched Z.The structure of bis(N-ethylurotropinium) octaiodide (UrEt)2I8 has been determined and a new configuration (I3-, I5-) for octaiodide ions between Z (I3- · I2 ·I3-) and a “broken” configuration (I3-, I5-) has been observed. The compound crystallizes in the triclinic space group P1̄ with a = 9.741 (3), b = 11.815 (3), c = 15.426 (3) Å, α = 91.80 (2), β = 107.14 (2), γ = 90.04 (2)° and Z = 2. The crystal structure has been refined to RF = 0.037 for 3657 reflections.

Structural Studies of Complexes of Tridentate Terimine Systems. Crystal Structure of Bis(2,2′:6′,2′′-terpyridine)ruthenium(II) Perchlorate Hydrate, Bis(2,2′:6′,2′′-terpyridine)- osmium(II) Perchlorate Hemihydrate and Bis((1,10-phenanthrolin-2-yl)(pyridin-2-yl)amine)iron(II) Tetrafluoroborate Dihydrate

1998 ◽  
Vol 51 (12) ◽  
pp. 1131 ◽  
Author(s):  
Donald C. Craig ◽  
Marcia L. Scudder ◽  
Wendy-Anne McHale ◽  
Harold A. Goodwin
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Metal Ion ◽  
Chelate Ring ◽  
Monoclinic Space Group ◽  
Structural Studies ◽  
Triclinic Space Group ◽  
Space Group ◽  
Membered Chelate Ring ◽  
Group I

The crystal structures of bis(2,2′:6′,2″-terpyridine)ruthenium(II) perchlorate hydrate, bis(2,2′:6′,2″- terpyridine)osmium(II) perchlorate hemihydrate and bis((1,10-phenanthrolin-2-yl)(pyridin-2-yl)- amine)iron(II) tetrafluoroborate dihydrate are described. In the terpyridine complexes the ruthenium-nitrogen distances and the corresponding osmium-nitrogen distances are not significantly different. In both complexes the ligand geometry and the metal ion environment show the distortions usual for bis(terpyridine) systems. Distortions are less marked in the bis((1,10-phenanthrolin-2-yl)(pyridin-2-yl)amine)iron(II) cation in which each tridentate unit forms one five-membered and one six-membered chelate ring. [Ru(trpy)2] [ClO4]2.(H2O)1.1: tetragonal, space group I 41/a, a, b 12·527(2), c 40·202(11) Å, Z 8. [Os(trpy)2] [ClO4]2.(H2O)0·5: monoclinic, space group P 21/n, a 8·842(3), b 8·861(1), c 39·22(2) Å, β93·89(2)°, Z 4. [Fe(phpyam)2] [BF4]2.(H2O)2: triclinic, space group P -1, a 12·43(1), b 12·45(1), c 13·35(1) Å, α 62·70(10), β 78·55(8), γ 72·46(9)°, Z 2.

scholarly journals Synthesis, crystal structures and antimicrobial activity of palladium metal complexes of sulfonyl hydrazone ligands

2020 ◽  
Vol 11 (4) ◽  
pp. 377-384
Author(s):  
Samina Karimkha Tadavi ◽  
Ratnamala Subhash Bendre ◽  
Satish Vittal Patil ◽  
Shubha Gaguna ◽  
Jamatsing Darbarsing Rajput
Keyword(s):  
Crystal Structure ◽  
Staphylococcus Aureus ◽  
Antibacterial Activity ◽  
Antifungal Activity ◽  
Palladium Complexes ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Triclinic Space Group ◽  
Space Group

Palladium complexes of sulfonyl hydrazone based ligands have been prepared by refluxing with the corresponding ligands and Pd(II) salt in 2:1 ratio. The compounds have been characterized by FT-IR and UV-Vis spectroscopic methods. The crystal structure of the prepared palladium complexes has been determined by single-crystal X-ray crystallographic technique. Crystal data for C40H50N4O6PdS2 (PMHT-Pd(II) complex): triclinic, space group P-1 (no. 2), a = 7.1561(6) Å, b = 12.1300(11) Å, c = 12.6117(17) Å, α = 63.498(11)°, β = 86.694(9)°, γ = 81.451(7)° and Z = 1. The final R1 was 0.0699 (I > 2σ(I)) and wR2 was 0.1834 (all data). Crystal data for C36H42N4O6PdS2 (PTHC-Pd(II) complex): monoclinic, space group P21/n (no. 14), a = 8.6726(2) Å, b = 20.8824(4) Å, c = 10.3351(2) Å, β = 104.429(2)° and Z = 2. The final R1 was 0.0344 (I > 2σ(I)) and wR2 was 0.0840 (all data). Crystal data for C36H42N4O6PdS2 (PTHT-Pd(II) complex): monoclinic, space group P21/n (no. 14), a = 9.7658(2) Å, b = 10.0488(3) Å, c = 18.7714(4) Å, β = 99.602(2)° and Z = 2. The final R1 was 0.0334 (I > 2σ(I)) and wR2 was 0.0832 (all data). Crystal data for C40H50N4O6PdS2 (PMHC-Pd(II) complex): triclinic, space group P-1 (no. 2), a = 10.2070(9) Å, b = 12.1841(13) Å, c = 16.8879(19) Å, α = 109.005(6)°, β = 90.061(5)°, γ = 99.032(5)° and Z = 2. The final R1 was 0.0822 (I > 2σ(I)) and wR2 was 0.2293 (all data). The single-crystal structure data showed a good agreement with the experimental results. The synthesized complexes were screened for their in vitro antibacterial activity against one Gram-negative (Escherichia coli) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and for in vitro antifungal activity against Aspergillus niger, Aspergillus flavus and Aspergillus fumigatus. The PTHC-Pd(II) complex possesses the nearby significant antifungal activity analogous to the standard drug fluconazole against selected fungal strains Aspergillus niger, Aspergillus Flavus and Aspergillus fumigatus as well as the same complex showed the antibacterial activity for Staphylococcus aureus as comparable to standard ofloxacin drug.

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

Strukturen der mehrkernigen nickelthiolato-komplexe [(μ-SMe)2(Ni(MeNHCS2))2] und cyclo-[(μ-SMe)2Ni]6 / Structures of Two Polynuclear Nickel-Thiolato-Complexes [(μ-SMe)2(Ni(MeNHCS2))2] and cyclo-[(μ-SMe)2Ni]6

1994 ◽  
Vol 49 (6) ◽  
pp. 770-772 ◽  
Author(s):  
Klaus Schulbert ◽  
Rainer Mattes
Keyword(s):  
Crystal Structures ◽  
Nickel Acetate ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Dithiocarbamic Acid ◽  
Coordination Spheres ◽  
Partial Degradation ◽  
Acid Esters

The reactions of N-substituted dithiocarbamic acid esters and nickel acetate yield, by partial degradation of the esters, the polynuclear nickel thiolato complexes cyclo-[(μ-SMe)2Ni]6, 1 and [(μ-SMe)2(Ni(MeNHCS2))2, 2. Their crystal structures have been determined. The Ni coordination spheres are comprised of four sulfur atoms in a planar arrangement. 1 is a second, highly symmetrical modification of the already known cyclic hexamer Ni6(SMe)12. In 2 two Ni(PhNHCS2) moieties are bridged to dimers by thiolato groups. Two of these dimers are connected to a tetramer by weak axial Ni-S interactions. Crystal data for 1: monoclinic, space group P21/n, a = 986.1(2), b = 1308.1(3), c = 1228.6(2) pm, β = 96.07(3)°, Z = 2, R = 0.072, Rw = 0.062, 3797 reflections. 2: orthorhombic, space group Pnma, a = 1790.0(4), b = 1806.7(4), c = 934.4(2) pm. Z = 4, R = 0.061, Rw = 0.051, 2079 reflections

79Br, 127I NQR of Diammoniumalkyl Halides and Piperazinium Halides. Crystal Structure of Piperazinium Dibromide Monohydrate and Piperazinium Monoiodide

1989 ◽  
Vol 44 (1) ◽  
pp. 41-55 ◽  
Author(s):  
Jutta Hartmann ◽  
Shi-Qi Dou ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Phase Transitions ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Temperature Range

Abstract The 79Br and 127I NQR spectra were investigated for 1,2-diammoniumethane dibromide, -diiodide, 1,3-diammoniumpropane dibromide, -diiodide, piperazinium dibromide monohydrate, and piperazinium monoiodide in the temperature range 77 ≦ T/K ≦ 420. Phase transitions could be observed for the three iodides. The temperatures for the phase transitions are: 400 K and 404 K for 1,2-diammoniumethane diiodide, 366 K for 1,3-diammoniumpropane diiodide, and 196 K for piperazinium monoiodide.The crystal structures were determined for the piperazinium compounds. Piperazinium dibromide monohydrate crystallizes monoclinic, space group C2/c, with a= 1148.7 pm, 0 = 590.5 pm, c= 1501.6pm, β = 118.18°, and Z = 4. For piperazinium monoiodide the orthorhombic space group Pmn 21 was found with a = 958.1 pm, b = 776.9 pm, c = 989.3 pm, Z = 4. Hydrogen bonds N - H ... X with X = Br, I were compared with literature data.

scholarly journals Einkristallzüchtung und Röntgenstrukturanalyse polymerer 1:1-Komplexe von CuBr2 und CuCl2 mit Pyrazin aus Gelen / Crystal Growth in Gels and X-Ray Characterization of Polymeric 1:1-Complexes of CuBr2 and CuCl2 with Pyrazine

1989 ◽  
Vol 44 (5) ◽  
pp. 553-556 ◽  
Author(s):  
Th. Fetzer ◽  
A. Lentz ◽  
T. Debaerdemaeker
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Crystal Growth ◽  
Chloro Complex ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Linear Chains

Single crystals of Cu(pz)Br2 and Cu(pz)Cl2 were grown by using gel methods with tetramethoxysilane as the gel-forming reagent. Thermal decomposition is interpreted. Crystal data for the bromo complex: monoclinic, space group C2/m with a = 1239.2(3) pm, b = 685.9(2) pm, c = 390.7(3) pm, β = 96,23(5)°. Crystal data for the chloro-complex: monoclinic, space group C2/m with a = 1197.1(3) pm, b = 684.9(3) pm, c = 370.1(3) pm, β = 95.96(5)°. Crystal structure analyses reveal that CuHal2 molecules are bonded by pyrazine to form linear chains. These chains are cross-linked by bridging halogen atoms.

Organoamido- and Aryloxo-lanthanoids. XII. The Coordination Chemistry of Bis(2-phenylindol-1-yl)ytterbium(II), and the X-Ray Crystal Structures of Yb(pin)2(diglyme)(thf) and [Yb(pin)2(dme)]2 (pin = 2-Phenylindol-1-yl, diglyme = Bis(2-methoxyethyl) Ether, thf Equals Tetrahydrofuran, dme = 1,2-Dimethoxyethane)

1995 ◽  
Vol 48 (12) ◽  
pp. 1933 ◽  
Author(s):  
CT Abrahams ◽  
GB Deacon ◽  
CM Forsyth ◽  
WC Patalinghug ◽  
BW Skelton ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Chemistry ◽  
Crystal Structures ◽  
Coordination Polyhedron ◽  
Basal Plane ◽  
Monoclinic Space Group ◽  
Coordinate Structure ◽  
Space Group ◽  
X Ray ◽  
Nitrogen Donor

With the facile displacement being utilized of thf from Yb(pin)2(thf)4 (pin = 2-phenylindol-1-yl, thf = tetrahydrofuran) in toluene solution, the complexes Yb(pin)2(dme)2 (dme = 1,2- dimethoxyethane), Yb(pin)2 (tmen)(tmen = N,N,N′,N′-tetramethylethane-1,2-diamine) and Yb(pin)2(diglyme)(thf) (diglyme = bis(2-methoxyethyl) ether) have been prepared from the respective ligands and Yb(pin)2(thf)4. Yb(pin)2 (diglyme) (thf) [monoclinic, space group P 21 /c, a 15.35(1), b 16.179(5), c 14.45(2) Ǻ, β 107.51(8)°, Z 4, R 0.044 for 2956 (I > 3σ(I)) 'observed' reflections] has a monomeric six-coordinate structure with transoid nitrogen donor atoms, N-Yb-N 143.6(4)° and an irregular coordination polyhedron described as either a distorted trigonal prism or a monocapped square pyramid. Attempted crystallization of Yb(pin)2 (thf) by partial desolvation of Yb(pin)2(thf)4 in hot toluene, containing a trace of dme, gave a mixture of red Yb(pin)2(thf) and orange [Yb(pin)2(dme)]2. The latter was independently synthesized by partial desolvation of Yb(pin)2(dme)2 in toluene. An X-ray crystal structure showed [Yb(pin)2(dme)]2 [monoclinic, space group P 21/c, a 11 .614(2), b 15.945(7), c 15.327(4) Ǻ, β 110.19(2)°, Z 2 dimers, R 0.070 for 2314 (I ≥ 3σ(I)) 'observed' reflections] to be a dimer with two bridging pin ligands, coordinated through nitrogen only. There is an approximately square pyramidal five-coordinate ytterbium environment with an apical dme oxygen, and with two bridging nitrogens, a terminal nitrogen, and a dme oxygen in the basal plane.

The Crystal Structures of 2-(3’-Hydroxypropyl)benzimidazolium Hexa- and Tetrachloroplatinate

2005 ◽  
Vol 60 (2) ◽  
pp. 164-168 ◽  
Author(s):  
A. Elmali ◽  
Y. Elerman ◽  
G. Eren ◽  
F. Gümüş ◽  
I. Svoboda
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Space Group

2-(3’-Hydroxypropyl)benzimidazolium (Hhpb) hexa- and tetrachloroplatinate (C10H13N2O)2·[PtCl6] 1 and (C10H13N2O)2·[PtCl4] 2 were synthesized and their crystal structures determined. Compound 1 is monoclinic, space group P21/n, a = 8.800(1), b = 14.389(2), c = 10.264(2) Å, β = 98.540(10)°, V = 1285.3(3) Å3, Z = 2 and Dc = 1.959 g cm−3. Compound 2 is triclinic, space group P1̄, a=7.8480(10), b=9.0460(10), c=9.6980(10) Å ,α =65.420(10), β =68.810(10), γ = 76.770(1)°,V =581.26(4) Å3, Z =1 and Dc =1.969 g cm−3. In both compounds, the Pt atoms reside at a centre of inversion. Compounds 1 and 2 are comprised of 2-(3’-hydroxypropyl)benzimidazolium (Hhpb)+: (C10H12N2O)+ and [PtCl6]2− and [PtCl4]2− ions, respectively, linked by intermolecular hydrogen bonds N...Cl [range from 3.428(3) to 3.584(4) Å ], N···O [2.769(5) Å ] and O···Cl [3.338(4) and 3.321(3) Å ] for 1, and N···Cl [3.162(7) Å ], N···O [2.749(8) Å ] and O···Cl [3.289(6) Å ] for 2.

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