scholarly journals Synthesis, Characterization and Biological Studies of Ether–Based Ferrocenyl Amides and their Organic Analogues

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 480
Author(s):  
Sana Waseem Abbasi ◽  
Naveed Zafar Ali ◽  
Martin Etter ◽  
Muhammad Shabbir ◽  
Zareen Akhter ◽  
...  
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Crystal Structures ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Spectral Studies ◽  
Scavenging Activity ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Ferrocenyl amides (FB1-FB13) and their organic analogues (BZ1-BZ13) were prepared by a low-temperature condensation method. Ferrocenyl amides were synthesised using 4-ferrocenylbenzoyl chloride and ether-based amines and diamines. Benzoyl chloride was used to synthesise organic analogues by reacting with various amines. The synthesised compounds were characterised by elemental, spectroscopic (FT-IR and NMR) and single crystal X-ray diffraction methods. Crystal structures of the representative organic analogues (BZ2 and BZ6) were solved by single crystal X-ray diffraction. BZ2 crystallises in the triclinic space group P 1 ¯ with a unit cell volume of V = 1056.6(3) Å3 and with two formula units per unit cell. Whereas BZ6 assembles in the orthorhombic space group Pbca with four formula units per unit cell and a unit cell volume of V = 1354.7(2) Å3. Spectral studies confirmed the presence of amide linkages in the synthesised compound with a strong N—H·····O=C hydrogen bonding network established between amide groups of neighbouring molecular scaffolds further stabilising the molecular stacking in accordance with the archetypal crystal structures. The bioactive nature of each compound was assessed by DPPH (2,2-diphenyl-1-picrylhydrazyl) free radical scavenging activity, hydrogen peroxide scavenging activity and total antioxidant activity. Antidiabetic, anticholinesterase enzyme inhibition tests, as well as antibacterial activities, were performed showing significant biological activity for ferrocenyl amides as compared to their organic analogues.

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2

2020 ◽  
Vol 35 (4) ◽  
pp. 282-285
Author(s):  
Zhicheng Zha ◽  
Ting Tang ◽  
Xiaoyan Bian ◽  
Qing Wang
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Powder Diffraction ◽  
Structure Data ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2, are reported [a = 9.236(7) Å, b = 10.294(4) Å, c = 15.471(1) Å, unit cell volume V = 1471.11 Å3, Z = 4, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed. The single-crystallographic data of the compound are also reported [a = 9.2392(7) Å, b = 10.2793(5) Å, c = 15.4822(7) Å, unit cell volume V = 1470.37(15) Å3, Z = 4, and space group P212121]. Both single-crystal and powder diffraction methods can get the similar structure data.

Mn-rich graftonite, ferrisicklerite, staněkite and Mn-rich vivianite in a granitic pegmatite at Soè Valley, central Alps, Italy

2007 ◽  
Vol 71 (5) ◽  
pp. 579-585 ◽  
Author(s):  
A. Guastoni ◽  
F. Nestola ◽  
G. Mazzoleni ◽  
P. Vignola
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Hydrothermal Fluids ◽  
Granitic Pegmatite ◽  
Single Crystal Xrd ◽  
Central Alps ◽  
X Ray Diffraction ◽  
X Ray

AbstractMn-rich graftonite, (Ca,Mn2+)(Fe2+,Mn2+)2(PO4)2, ferrisicklerite, Li1–x(Fe3+,Mn2+)PO4, manganoan apatite, (Ca,Mn2+,Fe2+Mg)(PO4)3Cl, staně kite, Fe3+Mn2+O(PO4) and Mn-rich vivianite, (Fe2+)3(PO4)2·8H2O, occurring in a granitic pegmatite at Soè Valley (central Alps, Italy) were characterized by powder and single-crystal X-ray diffraction (XRD) and electron microprobe analyses. Geochemically, the Mn-rich graftonite phases are poorly evolved Fe/Mn-phosphates of rare-earth elements-lithium (REE-Li) granitic pegmatites. The assemblage Mn-rich graftonite + ferrisicklerite + staněkite has rarely beendocumen ted in pegmatites. Inthe Soè Valley pegmatite, ferrisicklerite forms exsolution lamellae with Mn-rich graftonite associated with manganoan apatite and staněkite. Graftonite is associated with Mn-rich vivianite. Powder and single-crystal XRD data indicate that the unit-cell volume of graftonite increases as a function of Mn2+content. Staněkite shows a distinctly smaller unit-cell volume with respect to previously reported staněkites, probably due to reduced Mn2+. Vivianite with significant Mn2+has a unit-cell volume similar to nearly Mn-free vivianite. The formation of Mn-rich graftonite and manganoan apatite is related to destabilization of Mn-rich almandine and biotite during pegmatite formation. Ferrisicklerite forms exsolution lamellae along the 010 cleavage planes of Mn-rich graftonite, whereas staněkite forms by alterationof ferrisicklerite and Mn-rich vivianite due to circulation of late-stage hydrothermal fluids.

X-ray powder diffraction data for 2-[((3R)-5-oxo-4-phenyltetrahy drofuran-3-yl)methyl]isoindoline-1,3-dione, C19H15NO4

2016 ◽  
Vol 31 (2) ◽  
pp. 155-158
Author(s):  
Shoujun Zheng ◽  
Kailin Xu ◽  
Qing Wang ◽  
XiaoLin Tang ◽  
Yanmei Huang ◽  
...  
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Element Analysis ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

2-[((3R)-5-oxo-4-phenyltetrahydrofuran-3-yl)methyl]isoindoline-1,3-dione, C19H15NO4, was synthesized for the first time. Its structure was characterized by element analysis, ultraviolet spectrometry, nuclear magnetic resonance, and single X-ray diffraction (SXRD). X-ray powder diffraction (XRPD) data of title compound were collected and calculated. The result of SXRD shows that its crystal system is orthorhombic, space group is Pbca, and unit-cell parameters are a = 8.861 57(7), b = 14.6666(10), c = 24.4247(19) Å, α =β =γ =90°, unit-cell volume V = 3174.4 Å3, and Z = 8. All XRPD measured lines were indexed and consistent with the Pbca space group [a = 14.639(7), b = 24.378(3), c = 8.918(1) Å, α = β = γ = 90°, unit-cell volume V = 3182.7(9) Å3, Z = 8]. No detectable impurities were observed.

Powder X-ray diffraction of 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone, C15H19N3O2

2015 ◽  
Vol 30 (4) ◽  
pp. 367-367 ◽  
Author(s):  
Qing Wang ◽  
Ya Ping Li ◽  
Shan Shan Li ◽  
Bin Tang ◽  
Hui Li
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

X-ray powder diffraction data for 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone, C15H19N3O2, are reported [a = 14.877(4) Å, b = 5.893(6) Å, c = 18.984(3) Å, α = 90°, β = 122.298(3)°, γ = 90°, unit-cell volume V = 1406.86 Å3, Z = 4, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

X-ray powder diffraction data for (S)-methyl-2-hexanamido-3-(4-hydroxyphenyl)propanoate, C16H23NO4

2018 ◽  
Vol 33 (4) ◽  
pp. 306-309
Author(s):  
Qing Wang ◽  
Xiaolin Chen ◽  
Zili Suo
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Calculated Density ◽  
Space Group ◽  
X Ray

X-ray powder diffraction data for (S)-methyl-2-hexanamido-3-(4-hydroxyphenyl)propanoate, C16H23NO4, are reported [a = 17.795(4) Å, b = 15.101(1) Å, c = 12.746(3) Å, unit-cell volume V = 3425.51 Å3, Z = 8, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed. The single crystallographic data of the compound are also reported [a = 12.5998(3) Å, b = 17.6856(5) Å, c = 14.6711(5) Å, unit-cell volume V = 3269.25(16) Å3, Z = 8, and space group P212121]. Because of the single-crystal diffraction data were measured at low temperature (110 K), the cell parameters, volume, and calculated density of single-crystal experiment have slight differences with powder diffraction results.

scholarly journals Single Crystal X-Ray Structural Investigation of Alluaudite Related Monophosphate Na2FeMn2(PO4)3

2010 ◽  
Vol 12 (3,4) ◽  
pp. 213
Author(s):  
Nezha Dridi ◽  
El Hassan Arbib ◽  
El Hassan Karni ◽  
Francesco Capitelli ◽  
Brahim Elouadi
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Unit Cell Volume ◽  
Structural Investigation ◽  
Three Dimensional ◽  
Structural Type ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network

<p>The compound Na<sub>2</sub>FeMn<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> has been successfully isolated with the alluaudite structural type. Accurate single crystal X-Ray diffraction has allowed solving the structure with reliability factors of R<sub>1</sub> and Rw equal to 0.0322 and 0.0790 respectively. It was found that the symmetry is monoclinic with a space group of C2/c and lattice parameters: a = 12.180(2) Å, b = 12.660(2) Å, c = 6.500(2) Å, b = 114.528(3)(°), unit cell volume = 911.8(3) Å<sup>3</sup>, Z = 8 and d<sub>cal.</sub>=3.618 g.cm<sup>-3</sup>. Three-dimensional network is formed by the [MnO<sub>6</sub>] octahedra linked in pairs to form Mn-based octahedral dimers: ([Mn<sub>2</sub>O<sub>10</sub>]). Each dimer shares six vertices with six tetrahedra [P(2)O<sub>4</sub>] to form sheets within the plane (100). The latter are connected by tetrahedra [P(1)O<sub>4</sub>] delimiting cages and tunnels which house either Fe<sup>3+</sup> or Na<sup>+</sup> cations. Each [FeO<sub>6</sub>] octahedron is linked to two [Mn<sub>2</sub>O<sub>10</sub>] dimers belonging to two adjacent sheets to form mixed Fe-Mn chains of the type: - Fe<sup>3+</sup> - Mn<sup>2+</sup> - Mn<sup>2+</sup> - Fe<sup>3+</sup> - Mn<sup>2+</sup> - Mn<sup>2+</sup> - Fe<sup>3+</sup> - ..., running along the direction [101].<strong></strong></p>

scholarly journals A comparative study of the crystal structures of 2-(4-(2-(4-(3-chlorophenyl)pipera -zinyl)ethyl) benzyl)isoindoline-1,3-dione by synchrotron radiation X-ray powder diffraction and single-crystal X-ray diffraction

2019 ◽  
Vol 17 (1) ◽  
pp. 1116-1123
Author(s):  
Jin-Hui Zhou ◽  
Mao-Jian Shi ◽  
Lin Ding ◽  
Guo-Qiang ShangGuan ◽  
Jun Xu
Keyword(s):  
Synchrotron Radiation ◽  
Single Crystal ◽  
Cell Volume ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe crystal structures of the title compound, C27H26ClN3O2, were established by single-crystal X-ray diffraction and synchrotron radiation X-ray powder diffraction. The simulated annealing approach and rigid-body Rietveld refinement were applied to the structure solution from powder data. Direct methods and full-matrix least-squares techniques were used to solve and refine the crystal structure from single-crystal data. The title compound crystallized in space group P $\bar{1}$ with lattice parameters a=17.396(7) Å, b= 10.010(4) Å, c=6.833(3) Å, α=77.345(12) °, β= 93.534(6) °, γ=97.210(9) °, unit-cell volume V= 1151.0(2) Å3, Z=2 from powder data, and in space group P $\bar{1}$with lattice parameters α=82.485(2) °, β= 86.5110(10) °, γ=77.518(2) °, a=6.8159(6) Å, b= 10.0003(9) Å, c=17.4140(15) Å, unit-cell volume V =1148.3(2) Å3, Z=2 from single-crystal data. No detectable impurities were observed.

scholarly journals Study of Structural, Magnetic, and Mossbauer Properties of Dy2Fe16Ga1−xNbx (0.0 ≤ x ≤ 1.0) Prepared via Arc Melting Process

2021 ◽  
Vol 7 (3) ◽  
pp. 42
Author(s):  
Jiba N. Dahal ◽  
Kalangala Sikkanther Syed Ali ◽  
Sanjay R. Mishra
Keyword(s):  
Isomer Shift ◽  
Cell Volume ◽  
Intermetallic Compounds ◽  
Unit Cell Volume ◽  
Rietveld Analysis ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Nb Content

Intermetallic compounds of Dy2Fe16Ga1−xNbx (x = 0.0 to 1.00) were synthesized by arc melting. Samples were investigated for structural, magnetic, and hyperfine properties using X-ray diffraction, vibration sample magnetometer, and Mossbauer spectrometer, respectively. The Rietveld analysis of room temperature X-ray diffraction data shows that all the samples were crystallized in Th2Fe17 structure. The unit cell volume of alloys increased linearly with an increase in Nb content. The maximum Curie temperature Tc ~523 K for x = 0.6 sample is higher than Tc = 153 K of Dy2Fe17. The saturation magnetization decreased linearly with increasing Nb content from 61.57 emu/g for x = 0.0 to 42.46 emu/g for x = 1.0. The Mössbauer spectra and Rietveld analysis showed a small amount of DyFe3 and NbFe2 secondary phases at x = 1.0. The hyperfine field of Dy2Fe16Ga1−xNbx decreased while the isomer shift values increased with the Nb content. The observed increase in isomer shift may have resulted from the decrease in s electron density due to the unit cell volume expansion. The substantial increase in Tc of thus prepared intermetallic compounds is expected to have implications in magnets used for high-temperature applications.

X-ray powder diffraction data for tetrazene nitrate monohydrate, C2H9N11O4

2021 ◽  
pp. 1-3
Author(s):  
J. Maixner ◽  
J. Ryšavý
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for tetrazene nitrate monohydrate, C2H9N11O4, are reported [a = 5.205(1) Å, b = 13.932(3) Å, c = 14.196(4) Å, β = 97.826(3)°, unit-cell volume V = 1019.8(4) Å3, Z = 4, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

X-ray powder diffraction data for copper(II), bis[(2E)-3-methoxy-2-[(2,6-dimethylphenyl)imino]-4-[(2,6-dimethylphenyl)imino-κN]-3-pentanolato-κO] complex

2013 ◽  
Vol 28 (4) ◽  
pp. 296-298
Author(s):  
R. Pažout ◽  
J. Maixner ◽  
A.S. Jones ◽  
J. Merna
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for a new bis(β-diiminato) Cu(II) complex, C44H54CuN4O4, are reported [a = 8.683(3) Å, b = 11.216(3) Å, c = 11.753(4) Å, α = 66.27(3), β = 84.61(3), γ = 78.85(3), unit-cell volume V = 1027.77 Å3, Z = 1, and space group P-1]. All measured lines were indexed and are consistent with the P-1 space group. No detectable impurity was observed.

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