Ara
Toplam kayıt 64, listelenen: 1-10
Synthesis, crystal structure, Hirshfeld surface analysis, In-Silico assessment of druggability and molecular docking studies of Schiff base compound
(Elsevier B.V., 2020)
In this crystal structure (I), an intramolecular O—H···O hydrogen bond forms S(6) ring motif. Furthermore, this structure is stabilized by C—H···O hydrogen bonding interaction to form a chain along a-axis. The intermolecular ...
5-Methyl-2-hydroxy-acetophenone-S-methyl-thiosemicarbazone and its nickel-PPh3 complex. Synthesis, characterization, and DFT calculations
(Elsevier Science Bv, 2018)
A tridentate Schiff base ligand (5-methyl-2-hydroxy-acetophenone-S-methyl-thiosemicarbazone, H2L) and its mononuclear nickel complex, [NiL(PPh3)], were obtained and characterized by spectroscopic techniques. Structural ...
Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
(Int Union Crystallography, 2019)
The title compound, C17H17NO3, was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two molecules, which adopt different ...
A novel one-pot synthesis of heterocyclic compound (4-benzoyl-5-phenyl-2-(pyridin-2-yl)-3,3a-dihydropyrazolo[1,5-c]pyrimidin-7(6H)-one): Structural (X-ray and DFT) and spectroscopic (FT-IR, NMR, UV-Vis and Mass) characterization Studies
(Elsevier B.V., 2015)
In this study, the title compound named as 4-benzoyl-5-phenyl-2-(pyridin-2-yl)-3,3a-dihydropyrazolo[1,5-c]pyrimidin-7(6H)-one (C24H18N4O2) was both experimentally and theoretically investigated. The compound was synthesized ...
Non-Destructive Characterization of Subsurface Residual Stress Fields and Correlation with Microstructural Conditions in a Shot-Peened Inconel Component
(Springer, 2018)
Shot-peening is an important surface treatment used in a preventative way to guard against fatigue failures. The residual stress state imparted by shot-peening deters the formation and propagation of surface cracks. In ...
A theoretical and experimental study on isonitrosoacetophenone nicotinoyl hydrazone: Crystal structure, spectroscopic properties, NBO, NPA and NLMO analyses and the investigation of interaction with some transition metals
(Elsevier Science Bv, 2018)
A new hydrazone oxime compound, isonitrosoacetophenone nicotinoyl hydrazone (inapNH(2)), was synthesized and characterized by spectroscopic techniques (MIR, H-1-NMR and C-13-NMR) and single crystal X-ray diffraction. The ...
Synthesis, spectroscopic (FT-IR, UV-Vis), experimental (X-Ray) and theoretical (HF/DFT) study of: (E)-2-Chloro-N-((4-nitrocyclopenta-1,3-dienyl)methylene)benzenamine
(Elsevier Science Bv, 2018)
A new Schiff base, (E)-2-chloro-N-((4-nitrocyclopenta-1,3-dienyl)methylene)benzenamine, C11H7ClN2O2S has been synthesized and structurally characterized by spectroscopy methods. The computational calculations were done at ...
Synthesis, characterization, hirshfeld surface and theoretical properties of a new non-centrosymmetric inorganic/organic material: (C7H12N2)(7)[beta-SbMo6O24](2) center dot 8H(2)O
(Elsevier Science Bv, 2018)
The first non-centrosymmetric polyoxometallate with organic cations and the beta-isomer of Anderson-type POM clusters, (C7H12N2)(7)[beta-SbMo6O24](2)center dot 8H(2)O (1), has been synthesized in aqueous solution and ...
Two new benzamides: Synthesis, spectroscopic characterization, X-ray diffraction, and electronic structure analyses
(Elsevier, 2020)
This work includes the syntheses, molecular and electronic structure analyses of two novel secondary amide compounds 3-acetoxy-2-methyl-N-(2-methoxyphenyl)benzamide, 1 and 3-acetoxy-2-methyl-N-(3-methylphenyl)benzamide, ...
X-ray diffraction, Hirshfeld surface, local and global chemical activity studies of a Bis{(E)-2,4-di-tert-butyl-6-((3-iodo-4-methylphenylimino)methyl)phenolato-N,O-}copper(II) complex
(Elsevier, 2020)
Cu(II) complex of (BINO)Cu, (E)-2,4-di-tert-butyl-6-((3-iodo-4-methylphenylimino)methyl)phenol, has been synthesized and characterized by FT-IR, UV-Vis and X-ray diffraction techniques. The (BINO)Cu complex crystallizes ...