Trifluormethylazosulfon-N,N-dimethylamid, Vibrational Spectra, NMR Spectra, Mass Spectra, Crystal Structure The reaction of Trifluoronitrosomethan with (CH3)2NS(0 )2NH2 in THF and Na2C 0 3 as base give the yellow liquid (CH3)2NS(0 )2NNCF3. The new compound melts at 283 K and were characterized by vibrational, NMR and mass spectra. In addition, the crystal structure of (CH3)2NS(0 )2NNCF3 has bee...

Doped hafnium oxide was shown to exhibit a strong ferroelectric behavior. It implied that doping allows the stabilization of HfO2 non-centrosymmetric orthorhombic phase, prerequisite for However, number reports showed comparable properties in undoped HfO2, although with different behaviors remanent polarization upon layer thickness. In this work, and crystalline structure doped layers as functi...

The structural, electronic, mechanical, and thermal properties of Hf6Ta2O17 are studied using density functional theory. Helmholtz free energy is computed for various symmetry constraints on the structure during lattice optimization atomic configuration relaxation. energies calculated from Γ-point phonon frequencies demonstrate a preference slightly lowered symmetry, preferring triclinic rather...

Single crystals of pure and picric acid doped thiourea were grown by slow evaporation technique. Single crystal structure was determined by X-ray diffraction data and it reveals that the crystal belongs to orthorhombic crystal system with space group of Pnma. The dielectric constant and dielectric loss were calculated by varying frequencies at different temperatureThemicrohardness test reveals ...

Electron diffraction measurements on epitaxially grown crystals of orthorhombic n-hexatriacontane, n-C(36)H(74), give evidence for the chain-defect mechanism for linear chain melting. The derived structural model is also in accord with recent spectroscopic studies of odd-chain n-alkanes, and the diffraction data specifically exclude models based on helices or rigid chain rotors. Stability of a ...

A new ortho-rhom-bic polymorph of terephthalaldehyde, C(8)H(6)O(2), with a melting point of 372 K, has been obtained by recrystallization from ethanol. At room temperature, the crystals transform into the well known monoclinic form, with a melting point of 389 K. The crystal structure of the monoclinic form involves C-H⋯O hydrogen bonds, but no such bonds are observed in the orthorhombic form. ...

The crystal structure of 1-[3-(3,4-dimethoxyphenyl)-2-propenoyl]pyrrolidine (C15H19NO3) (I) has been determined by X-ray analysis. It crystallizes orthorhombic space group Pbca with a = 24.295(3), b = 15.086(3), c = 7.552(3)A, V = 2768(1)A3, Z = 8, Dcalc = 1.254 g/cm3, mu = (Mo K(alpha)) = 0.87 cm(-1). The title compound has analgesic activity of cycloaliphatic amine part. The molecule is devia...

8,2'-Cycloadenosine, C IoHi~NsO4.3H20, is a modified arabinosyladenosine nucleoside which has been cyclized at the C(8) and 0(2 ' ) atoms. THe trihydrate crystallizes in the orthorhombic space group P2~2~2~, with a = 8.680 (2), b = 5.991 (2), c = 27.203 (4) A, Z = 4. The structure was refined to R = 0.0672 for 1411 unique reflections, photographically recorded. The arabinofuranose ring has a fl...

Ab initio evolutionary algorithm was employed to resolve the crystal structure of the observed superhard BC2N. We uncovered two polymorphs with rhombohedral 2 f.u./cell and orthorhombic 2 f.u./cell symmetries, with which the experimental x-ray diffraction pattern is well reproduced. Analysis of the total energy results and the simulated energy-loss near-edge spectroscopy suggests that the rhomb...

This study presents the structural and magnetic properties of melt-spun , , and alloys. Appreciable permanent-magnet properties with a magnetocrystalline anisotropy of about 9.6–16.5 , a magnetic polarization –10.6 kG, and coercivities –3.0 kOe were obtained by varying the composition of these alloys. Structural analysis reveals that the positions of x-ray diffraction peaks of show good agreeme...