Late metal salicylaldimine complexes derived from 5-aminosalicylic acid — Molecular structure of a zwitterionic mono Schiff base zinc complex

2005 ◽  
Vol 83 (8) ◽  
pp. 1063-1070 ◽  
Author(s):  
Tara A Bourque ◽  
Megan E Nelles ◽  
Teri J Gullon ◽  
Christian N Garon ◽  
Melissa K Ringer ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Diffraction Study ◽  
Monoclinic Space Group ◽  
Aminosalicylic Acid ◽  
X Ray Diffraction ◽  
Compound A ◽  
Space Group ◽  
X Ray ◽  
New Compounds

Condensation of salicylaldehyde (2-HOC6H4C(O)H) with 5-aminosalicylic acid (5-H2NC6H3-2-(OH)-CO2H) afforded the Schiff base 2-HOC6H4C(H)=NC6H3-2-(OH)-5-CO2H (a). Similar reactivity with 5-bromosalicylaldehyde was also observed to give 5-Br-2-HOC6H3C(H)=NC6H3-2-(OH)-5-CO2H (b). Reaction of these salicylaldehydes with Pd(II), Cu(II), and Zn(II) salts gave the corresponding bis(N-arylsalicylaldiminato)metal complexes (M = Pd (1), Cu (2), Zn (3)). The molecular structure of the Schiff base compound a has been confirmed by an X-ray diffraction study. Crystals of a were monoclinic, space group P2(1)/c, a = 7.0164(7) Å, b = 11.0088(11) Å, c = 14.8980(15) Å, β = 102.917(2)°, Z = 4. The molecular structure of a novel zwitterionic conformer of 3a was also characterized by an X-ray diffraction study. Crystals of 4 were monoclinic, space group P2(1)/c, a = 9.5284(5) Å, b = 19.5335(11) Å, c = 8.6508(5) Å, β = 90.596(1)°, Z = 4. All new compounds have been tested for their antifungal activity against Aspergillus niger and Aspergillus flavus. Key words: 5-aminosalicylic acid (5-ASA), antifungal, copper, palladium, salicylaldimines, Schiff base, zinc.

Reactions of Transition-Metal Sigma-Acetylides. V. Synthesis and X-Ray Structure of Co2(µ-η2-PhC2Fe(Co)2(η-C5h5))(Co)6

1986 ◽  
Vol 39 (1) ◽  
pp. 159 ◽  
Author(s):  
MI Bruce ◽  
DN Duffy ◽  
MG Humphrey
Keyword(s):  
Molecular Structure ◽  
Transition Metal ◽  
Single Crystal ◽  
Diffraction Study ◽  
Title Complex ◽  
Monoclinic Space Group ◽  
Independent Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The reaction between Co2(CO)8 and Fe(C2Ph)(CO)2(η-C5H5) gave the title complex in 44% yield. The molecular structure was determined from a single-crystal X-ray diffraction study, and consists of the transition metal acetylide acting as a conventional μ- alkyne ligand to a Co2(CO)6 unit. Crystals are monoclinic, space group P21/n, with a 11.610(8), b 14.657(4), c 12.526(6)Ǻ, β 90.30(5)°, and Z 4; 1683 independent data were refined to R 0.080, Rw 0.087.

Synthesis and reactivity of novel Schiff bases containing boronate esters

2002 ◽  
Vol 80 (1) ◽  
pp. 31-40 ◽  
Author(s):  
David W Norman ◽  
Janet P Edwards ◽  
Christopher M Vogels ◽  
Andreas Decken ◽  
Stephen A Westcott
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
Schiff Bases ◽  
Oxidative Cyclization ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Boronate Esters ◽  
Space Group ◽  
X Ray ◽  
Manganese Triacetate

Condensation of 2-aminophenol with boronate ester derivatives of benzaldehyde afforded the corresponding boron-containing Schiff bases, 2-HOC6H4N=C(H)C6H4R (1a: R = 2-Bpin; 1b: R = 3-Bpin; 1c: R = 4-Bpin; pin = 1,2-O2C2Me4). Crystals of 1b were triclinic, space group P[Formula: see text], a = 11.9420(6), b = 13.0871(7), and c = 13.2720(7) Å, α = 70.983(1), β = 67.793(1), and γ = 78.380(1)°, Z = 2. Reaction of 2-aminophenol with 2-HC(O)C6H4B(OH)2 in EtOH, however, gave a macrocyclic dimer 2 with a OBOBO structural unit. The molecular structure of this dimer has been confirmed by an X-ray diffraction study. Crystals of 2 were monoclinic, space group P21/c, a = 10.0447(8), b = 21.0894(15), and c = 12.6214(9) Å, β = 105.301(2)°, Z = 4. Further reaction of these Schiff bases with manganese triacetate in toluene afforded 2-arylbenzoxazoles 3a–c via an oxidative cyclization pathway. The molecular structure of the 4-Bpin derivative (3c) was characterized by an X-ray diffraction study. Crystals of 3c were monoclinic, space group P21/n, a = 6.5392(3), b = 16.3330(8), and c = 16.1942(8) Å, β = 97.9620(10)°, Z = 4.Key words: boron heterocycles, Schiff bases, arylbenzoxazoles.

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

The crystal and molecular structure of a platinum-silatrane complex

1977 ◽  
Vol 30 (5) ◽  
pp. 1007 ◽  
Author(s):  
GR Scollary
Keyword(s):  
Molecular Structure ◽  
Structural Analysis ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

A structural analysis of the platinum-silatrane complex, PtCl [Si(OCH2CH2)3N] [PMe2Ph]2, has been carried out by X-ray diffraction. Crystals are monoclinic, space group P21/c, a 6.630(4), b 17.465(6), c 22.297(6) Ǻ, β 97.4(2)�, Z 4. The structure has been refined by a full- matrix least-squares procedure to R 0.048 for 2165 reflections. Basic geometries are square (platinum), tetrahedral (silicon) and trigonal (nitrogen). Within the silatrane ligand, the Si-N non-bonding distance is 2.89(1) Ǻ.

Synthesis, characterization, and bioactivities of platinum(II) complexes bearing pyridinecarboxaldimines containing aliphatic groups

2013 ◽  
Vol 91 (2) ◽  
pp. 131-136 ◽  
Author(s):  
Erin L. Stewart ◽  
Alyssa E. Patterson ◽  
Taryn O'Neill ◽  
Haoxin Li ◽  
Andrew Flewelling ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
Platinum Complexes ◽  
Primary Amines ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Condensation of 2-pyridinecarboxaldehyde with six primary amines containing aliphatic groups gave the corresponding pyridinecarboxaldimines (N-N′R). Addition of these ligands to [PtCl2(coe)]2 (coe = cis-cyclooctene) gave complexes of the type cis-PtCl2(N-N′R) (1: R = propyl, 2: R = hexyl, 3: R = octyl, 4: R = nonyl, 5: R = hexadecyl, and 6: R = octadecyl) in moderate yields. The molecular structure of the hexyl derivative (2) has been confirmed by an X-ray diffraction study. Crystals of 2 were triclinic with a = 8.6858(19) Å, b = 8.7567(19) Å, c = 9.5080(19) Å, α = 76.546(3)°, β = 87.151(3)°, and γ = 78.586(3)° in the space group P1. All platinum complexes show considerable anti-bacterial and anti-mycobacterial properties.

Novel Thioborates of Cesium: Cs3BS3 and Li2CsBS3

2002 ◽  
Vol 57 (12) ◽  
pp. 1433-1438 ◽  
Author(s):  
J. Kuchinke ◽  
J. Küper ◽  
B. Krebs
Keyword(s):  
Solid State ◽  
Metal Sulfide ◽  
Solid State Reactions ◽  
Monoclinic Space Group ◽  
Amorphous Boron ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
New Compounds

The new compounds Li2CsBS3 and Cs3BS3 were prepared from the metal sulfide(s), amorphous boron and sulfur in solid state reactions at high temperatures. The crystal structures were determined by single crystal X-ray diffraction experiments. The purity of the products was proved by powder diffraction. Li2CsBS3 crystallizes in the orthorhombic space group Pnma (no. 62) with a = 10.004(2), b = 8.000(2), c = 8.082(2) Å , and Z = 4, while Cs3BS3 is isotypic to Rb3BS3 in the monoclinic space group P21/c (no. 14) with a = 10.397(1), b = 6.660(1), c = 13.618(1) Å , β = 101.31(1) °, and Z = 4. Both compounds contain isolated [BS3]3− anions with boron in a trigonal-planar coordination.

scholarly journals Chemical Preparation, Crystal Structure Reinvestigation and Vibrational Study of CoNa3P3O10.12H2O and X-ray Characterization of the New Anhydrous Triphosphate CoNa3P3O10

2021 ◽  
Vol 12 (2) ◽  
pp. 2586-2602
Keyword(s):  
Ion Exchange Resin ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Compound A ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The triphosphate dodecahydrate of cobalt and sodium CoNa3P3O10.12H2O was prepared by the ion exchange resin process. Its structure was studied by X-ray diffraction and determined in the monoclinic space group P121/c1with the unit-cell parameters a = 14.6650(5) Å, b=9.1916(3) Å, c = 15.0239(5) Å, =90.2210(10) °, Z = 4 and V = 2025.13(12) Å3. The thermal dehydration of this compound was performed, leading to an anhydrous new form, CoNa3P3O10, which was characterized by X-ray diffraction. The obtained CoNa3P3O10 crystallized in monoclinic space group P21/n with the unit-cell parameters a=15,3774 Å, b=7,6988 A°, c=14,2832A°, β=92,9115°.The characteristic IR wavenumbers of the P3O105− ions observed in the vibrational spectra were calculated using isotopic substitutions, which confirms the existence of these groups in the studied compound. A comparison between the IR and Raman wavenumbers of CoNa3P3O10.12H2O, CoNa3P3O10 and Na5P3O10.12H2O was performed. A kinetic study was also made for CoNa3P3O10·12H2O.

Interaction of the methylmercury cation with glycine and alanine: a vibrational and X-ray diffraction study

1986 ◽  
Vol 64 (9) ◽  
pp. 1876-1884 ◽  
Author(s):  
Marie-Claude Corbeil ◽  
André L. Beauchamp ◽  
Serge Alex ◽  
Rodrigue Savoie
Keyword(s):  
Aqueous Solutions ◽  
Diffraction Study ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Carboxylate Oxygen

The complexes (CH3Hg)Gly, (CH3Hg)(L-Ala), and (CH3Hg)(DL-Ala) were prepared by reacting CH3HgOH with glycine (HGly) and alanine (HAla). Crystals of (CH3Hg)(DL-Ala) are monoclinic, space group P21/c, a = 9.460(2), b = 8.794(2), c = 8.723(2) Å, β = 97.49(2)°, Z = 4. The structure was refined on 935 MoKα reflections to R = 0.042. The complex results from displacement of an alanine NH3+ proton by the CH3Hg+ ion, which is linearly bonded to the —NH2 group. An intramolecular Hg … O contact of 2.63 Å is also formed with a carboxylate oxygen. The Raman and infrared spectra of solid (CH3Hg)Gly and (CH3Hg)(L-Ala) are compared with those of the ligands. Raman spectra of aqueous solutions at different pH indicate that the NH2-bonded structure is retained in solution, although no complexation via the carboxylate occurs.

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

New mixed-valent alkali chain sulfido ferrates A1+x[FeS2] (A = K, Rb, Cs; x = 0.333–0.787)

2020 ◽  
Vol 235 (8-9) ◽  
pp. 275-290
Author(s):  
Michael Schwarz ◽  
Pirmin Stüble ◽  
Katharina Köhler ◽  
Caroline Röhr
Keyword(s):  
Alkali Metal ◽  
General Structure ◽  
Variable Number ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Modulated Structure ◽  
Space Group ◽  
X Ray ◽  
Local Coordination ◽  
Natural Pyrite

AbstractFour new mixed-valent chain alkali metal (A) sulfido ferrates of the general structure family ${A}_{1+x}\left[{\text{Fe}}_{x}^{\text{II}}{\text{Fe}}_{1-x}^{\text{III}}{\text{S}}_{2}\right]$ were synthesized in the form of tiny green-metallic needles from nearly stoichiometric melts reacting elemental potassium with natural pyrite (A = K) or previously prepared Rb2S/Cs2S2 with elemental iron and sulfur (A = Rb/Cs). The crystal structures of the compounds were determined by means of single crystal X-ray diffraction: In the (3+1)D modulated structure of K7.15[FeS2]4 (space group Ccce(00σ3)0s0, a = 1363.87(5), b = 2487.23(13), c = 583.47(3) pm, q = 0,0,0.444, R1 = 0.055/0.148, x = 0.787), a position modulation of the two crystallographically different undulated ${}_{\infty }{}^{1}\left[{\text{FeS}}_{4/2}\right]$ tetrahedra chains and the surrounding K cations is associated with an occupation modulation of one of the three potassium sites. In the case of the new monoclinic rubidium ferrate Rb4[FeS2]3 (x = $\frac{1}{3}$; space group P21/c, a = 1640.49(12), b = 1191.94(9), c = 743.33(6) pm, β = 94.759(4)°, Z = 4, R1 = 0.1184) the undulation of the tetrahedra chain is commensurate, the repetition unit consists of six tetrahedra. In the second new Rb ferrate, Rb7[FeS2]5 (x = 0.4; monoclinic, space group C2/c, K7[FeS2]5-type; a = 2833.9(2), b = 1197.36(9), c = 744.63(6) pm, β = 103.233(4)°, Z = 4, R1 = 0.1474) and its isotypic mixed Rb/Cs-analog Rb3.6Cs3.4[FeS2]5 (a = 2843.57(5), b = 1226.47(2), c = 759.890(10) pm, β = 103.7170(9)°, R1 = 0.0376) the chain buckling leads to a further increased repetition unit of 10 tetrahedra. For all mixed-valent ferrates, the Fe–S bond lengths continuously increase with the amount (x) of Fe(II). The buckling of the chains is controlled through the local coordination of the S atoms by the variable number of A cations of different sizes.

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