scholarly journals Tetrahydro-1,4-thiazine-3,5-dione

Molbank ◽  
10.3390/m1036 ◽  
2018 ◽  
Vol 2018 (4) ◽  
pp. M1036 ◽  
Author(s):  
R. Aitken ◽  
Alexandra Slawin ◽  
Pei-pei Yeh
Keyword(s):  
Title Compound ◽  
Unit Cell ◽  
X Ray ◽  
Hydrogen Bonded

The X-ray structure of the title compound contains eight molecules in the unit cell which form the basis of a herringbone arrangement of hydrogen bonded ribbons.

scholarly journals Bottleneck Effect Explained by Le Bail Refinements: Structure Transformation of Mg-CUK-1 by Confining H2O Molecules

Materials ◽  
2020 ◽  
Vol 13 (8) ◽  
pp. 1840
Author(s):  
Elí Sánchez-González ◽  
J. Gabriel Flores ◽  
Julio C. Flores-Reyes ◽  
Ivette Morales-Salazar ◽  
Roberto E. Blanco-Carapia ◽  
...  
Keyword(s):  
Relative Humidity ◽  
Co2 Capture ◽  
Unit Cell ◽  
Structure Transformation ◽  
X Ray Diffraction ◽  
Bottleneck Effect ◽  
X Ray ◽  
Cell Parameters ◽  
Hydrogen Bonded

The structure transformation of Mg-CUK-1 due to the confinement of H2O molecules was investigated. Powder X-ray diffraction (PXRD) patterns were collected at different H2O loadings and the cell parameters of the H2O-loaded Mg-CUK-1 material were determined by the Le Bail strategy refinements. A bottleneck effect was observed when one hydrogen-bonded H2O molecule per unit cell (18% relative humidity (RH)) was confined within Mg-CUK-1, confirming the increase in the CO2 capture for Mg-CUK-1.

scholarly journals 10H-Pyrazino[2,3-b][1,4]benzotellurazine, a Novel Tellurium-Containing Heterocyclic System

2020 ◽  
Vol 2020 ◽  
pp. 1-5
Author(s):  
Diamond S. Smith ◽  
Dallas N. Alexis ◽  
Frank R. Fronczek ◽  
Thomas Junk
Keyword(s):  
Title Compound ◽  
Heterocyclic System ◽  
Crystallographic Analysis ◽  
Supramolecular Assemblies ◽  
Methyl Derivative ◽  
X Ray ◽  
Hydrogen Bonded

Condensation of 2,3-dichloropyrazine with 2-aminobenzenetellurole and 2-amino-5-methylbenzenetellurole, generated in situ by reduction of the corresponding ditellurides, resulted in the formation of novel 10H-pyrazino[2,3-b][1,4]benzotellurazine and its 7-methyl derivative. The products were purified via their well-crystallized 5,5-dibromo derivatives. X-ray crystallographic analysis of the title compound indicates that it has a pronounced V-shape and forms hydrogen-bonded dimers. Te, N-containing heterocycles have the potential of offering access to supramolecular assemblies.

Synthese und Kristallstruktur von Triphenyltelluroniumsulfid / Synthesis and Crystal Structure of Triphenyltelluroniumsulfide

1994 ◽  
Vol 49 (12) ◽  
pp. 1654-1658 ◽  
Author(s):  
Markus Wieber ◽  
Stefan Lang ◽  
Stefan Rohse ◽  
Ralph Habersack ◽  
Christian Burschka
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters

The synthesis of triphenyltelluroniumsulfide (Ph3TeS)4 is described together with a NMR-spectroscopic characterization. The structure of the title compound was determined by single crystal X-ray diffraction. Crystals of triphenyltelluroniumsulfide are triclinic (space group P1) with the cell parameters a = 1178.0(3) pm. b = 1295.8(6) pm. c = 1298.7(4) pm, α = 77.67(3)°, β = 82.18(2)°, γ = 66.00(2)° (V = 1766(1) × 106 pm3) and Z = 2. The compound appears to form a step-like structure of two [Ph3TeS]2 units and crystallizes with two molecules of CH2Cl2 per unit cell.

X-ray powder diffraction data for ammonium manganese phosphate monohydrate

1997 ◽  
Vol 12 (1) ◽  
pp. 20-21
Author(s):  
A. Gómez ◽  
J. Guerra-López ◽  
R. González ◽  
R. Pomés
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Manganese Phosphate

Ammonium manganese phosphate monohydrate (NH4MnPO4.H2O) has been investigated by means of X-ray powder diffraction. The title compound is orthorhombic with unit-cell parameters a=5.7289(11), b=8.8167 (12), and c=4.9098 (8) Å.

X-ray diffraction data of 4-phenyl-6-(trifluoromethyl)-3,4-dihydroquinolin-2(1H)-one and its synthetic precursor N-[4-(trifluoromethyl)phenyl]cinnamamide

2016 ◽  
Vol 31 (3) ◽  
pp. 233-239
Author(s):  
Jose H. Quintana Mendoza ◽  
J. A. Henao ◽  
Carlos E. Rondón Flórez ◽  
Carlos E. Puerto Galvis ◽  
Vladimir V. Kouznetsov
Keyword(s):  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Chemical Formula ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters

The title compound, the 4-phenyl-6-(trifluoromethyl)-3,4-dihydroquinolin-2(1H)-one (4) with chemical formula: (C16H12F3NO), was synthesized from N-[4-(trifluoromethyl)phenyl]cinnamamide (3), chemical formula: (C16H12F3NO), through an intramolecular cyclization mediated by triflic acid. Preliminary molecular characterization of both compounds was performed by Fourier transform infrared spectroscopy, gas chromatography mass spectrometry, and nuclear magnetic resonance spectroscopy (1H, 13C); crystallographic characterization was completed by X-ray diffraction of polycrystalline samples. The title compound 4 crystallized in a monoclinic system and unit-cell parameters are reported [a = 16.002 (3), b = 5.170 (1), c = 17.733 (3) Å, β = 111.11 (2)°, unit-cell volume V = 1368.5 (3) Å3, Z = 4] P21/c (No. 14) space group; the title compound 3 crystallized in a monoclinic system and unit-cell parameters are reported [a = 12.902 (2), b = 5.144 (1), c = 20.513 (5) Å, β = 91.67 (2)°, unit-cell volume V = 1360.7 (4) Å3, Z = 4] P21/c (No. 14) space group.

Structure and Thermal Vibrations of Spermine Phosphate Hexahydrate from Neutron Diffraction Data at 125K

1997 ◽  
Vol 53 (5) ◽  
pp. 787-794 ◽  
Author(s):  
A. E. Cohen ◽  
B. M. Craven ◽  
W. T. Klooster
Keyword(s):  
Vibrational Analysis ◽  
Unit Cell ◽  
Mean Square ◽  
Full Matrix ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Thermal Vibrations ◽  
Rigid Segment ◽  
Hydrogen Bonded

Spermine phosphate hexahydrate crystallizes in space group P21/a with unit-cell dimensions a = 7.931 (1), b = 23.158 (5), c = 6.856 (2) Å, and \beta = 113.44 (2)° at 125 K with unit-cell contents [(C10H30N4)^{4+}_{2} (HPO4)^{2-}_{4}.12H2O]. The packing of spermines and monohydrogen phosphates in this crystal structure has features which may be relevant to the binding of spermine to DNA. Another important structural feature is the presence of channels containing water that is hydrogen bonded as in ice-Ih with disordered protons. The channels occur between sheets of spermine long chains and are also bordered by hydrogen-bonded monohydrogen phosphate chains. The hydrogen-bonding scheme of these water chains proposed on the basis of an earlier X-ray study is now confirmed. Nuclear positions, anisotropic mean-square (m.s.) displacements, an overall scale factor and two extinction parameters (\rho and g) were refined using full-matrix least-squares giving values of R(F^{2}_{o}) = 0.09, Rw(F^{2}_{o}) = 0.11 and S = 1.02. Thermal vibrational analysis revealed that the backbone of the spermine cation can be described as a single rigid segment with a substantial libration of 27 deg2 around the spermine molecular long axis.

Diborylverbindungen als Liganden in Metallkomplexen, III Synthese und Struktur von Bis(2.5-dimethyl-3.4-diäthyl-1.2.5-thiadiborolen)-nickel(0) / Diboryl Compounds as Ligands in Metal Complexes, III Synthesis and Structure of Bis(2,5-dimethyl-3,4-diethyl-1,2,5-thiadiborolene)-nickel(0)

1976 ◽  
Vol 31 (2) ◽  
pp. 203-207 ◽  
Author(s):  
Walter Siebert ◽  
Roland Full ◽  
Carl Krueger ◽  
Yi-Hung Tsay
Keyword(s):  
Structural Analysis ◽  
Metal Complexes ◽  
Title Compound ◽  
Spectroscopic Data ◽  
Nickel Complex ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Sandwich Compound ◽  
Electron Donating Groups

2,5-Dimethyl-3,4-diethyl-1,2,5-thiadiborolene (1) and Ni(CO)4 yield yellow 1 • Ni(CO)2, which is converted to the corresponding bis( 1,2,5-thiadiborolene)-nickel(0), the first thermostable thioborane nickel complex. Spectroscopic data indicate a pentahapto sandwich compound with the electron-donating groups in approximately tetrahedral arrangement. This is confirmed by X-ray structural analysis. The title compound crystallizes in the space group p21/c with α = 19.594(2), b = 11.8593(4), c = 9.3736(3) Å, β = 102.848(6)° and four molecules per unit cell.

Notizen: Preparation and Crystal Structure of the Hydrogen-Bonded Cyclic Dimer of PhP(S)[N(CH2Ph)2]OH, HN(CH2Ph)2+

1976 ◽  
Vol 31 (10) ◽  
pp. 1421-1422 ◽  
Author(s):  
T. Stanley Cameron ◽  
James D. Healy ◽  
Robert A. Shaw ◽  
Michael Woods
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Cyclic Dimer ◽  
X Ray ◽  
X Ray Crystallography ◽  
Hydrogen Bonded

The structure of the title compound was determined by X-ray crystallography. The compound is a cyclic dimer with short N···O and N···S contacts.

ζ-Y2[Si2O7]: Ein neuer Strukturtyp in der Yttrialit-Reihe / ζ -Y2[Si2O7]: A New Structure Type within the Yttrialite Series

2006 ◽  
Vol 61 (9) ◽  
pp. 1054-1060 ◽  
Author(s):  
Ingo Hartenbach ◽  
Steffen F. Meier ◽  
Thomas Schleid
Keyword(s):  
Single Crystals ◽  
Title Compound ◽  
Structure Type ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vertex Sharing ◽  
A Minor ◽  
Oxygen Atoms

Abstract During attempts of preparing yttrium oxotellurates(IV) using Y2O3 and TeO2 in YCl3 fluxes, the occasional reaction of these educts with the walls of the evacuated silica ampoules led to colourless, lath-shaped single crystals of Y2[Si2O7] in the new ζ -type structure as a minor by-product which was investigated by X-ray diffraction. The title compound crystallizes monoclinically in the space group P21/m (a = 503.59(5), b = 806.47(8), c = 732.65(7) pm, β = 108.633(6)°) with two formula units per unit cell. The crystallographically unique Y3+ cation is coordinated by seven oxygen atoms (d(Y-O = 221 - 248 pm) arranged in the shape of a slightly distorted monocapped octahedron. The isolated oxodisilicate units [Si2O7]6− consist of two Si4+ cations and seven O2− anions of which five are crystallographically independent. These pyroanions (d(Si-O) = 161 - 168 pm, ∢ (O-Si-O) = 91 - 117°, ∢ (Si-O-Si) = 156°) exhibit an almost perfectly eclipsed conformation built of a horseshoeshaped backbone with the two silicon and three of the oxygen atoms situated on the mirror planes of the unit cell. The remaining four oxide anions complete this [Si2O7]6− entity of two vertex-sharing [SiO4]4− tetrahedra as terminal ligands for silicon. Assembled in planar layers parallel to (−1 0 1), the [Si2O7]6− anions are packed with their wide basal faces of the tetrahedra pointing towards the small waist of the adjacent units and vice versa. The yttrium cations reside between these layers in order to interconnect them three-dimensionally.

X-ray powder diffraction data for 2,4-dichloro-5-nitrobenzoic acid

1998 ◽  
Vol 13 (1) ◽  
pp. 20-21 ◽  
Author(s):  
A. Paneque Quevedo ◽  
H. Novoa de Armas ◽  
L. Xuárez Marill
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Nitrobenzoic Acid

2,4-dichloro-5-nitrobenzoic acid (C7H3NO4Cl2) has been investigated by means of X-ray powder diffraction. The title compound is monoclinic with unit-cell parameters a=13.761 (2), b=8.435 (1), c=7.684 (1) Å, β=99.85 (1)°, V=878.5 (1) Å3, Z=4, Dx=1.772 g/cm3, space group P21/a (14).

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