Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one
Abstract The 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one (CCMP) compound
have been characterized by FT-IR, 1 H-NMR, 13 C-NMR, 1 H-1 H NOESY spectroscopy and …
have been characterized by FT-IR, 1 H-NMR, 13 C-NMR, 1 H-1 H NOESY spectroscopy and …
Spectroscopic, XRD, Hirshfeld surface and DFT approach (chemical activity, ECT, NBO, FFA, NLO, MEP, NPA& MPA) of (E)-4-bromo-2-[(4-bromophenylimino) methyl] …
In the present work, the compound (E)-4-bromo-2-[(4-bromophenylimino) methyl]-6-
ethoxyphenol was synthesized and characterized by spectroscopic (FT-IR and UV–Vis) and …
ethoxyphenol was synthesized and characterized by spectroscopic (FT-IR and UV–Vis) and …
Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material (C10H15N2) …
Y Oueslati, S Kansız, A Valkonen, T Sahbani… - Journal of Molecular …, 2019 - Elsevier
This present work undertakes the study of a novel organic–inorganic hybrid material, which
has been obtained successfully by an acid-base reaction at room temperature and …
has been obtained successfully by an acid-base reaction at room temperature and …
Synthesis, crystallographic structure, DFT calculations and Hirshfeld surface analysis of a fumarate bridged Co (II) coordination polymer
A 1-D coordination polymer catena [μ-fumaratobis (nicotinamide-κN) diaquacobalt (II)],(C 16
H 18 CoN 4 O 8) n,[Co (fum)(nia) 2 (H 2 O) 2] or [Co (μ-C 4 H 2 O 4)(C 6 H 6 N 2 O) 2 (H 2 O) …
H 18 CoN 4 O 8) n,[Co (fum)(nia) 2 (H 2 O) 2] or [Co (μ-C 4 H 2 O 4)(C 6 H 6 N 2 O) 2 (H 2 O) …
Growth, structural, vibrational, characterization and DFT investigations of 2-methylimidazolium hydrogen oxalate dihydrate (2MIO) single crystal-towards third order …
A Steephenraj, C Sidden, R Paulraj… - Journal of Molecular …, 2023 - Elsevier
We report the studies conducted on the single crystal of 2-methyimidazolium hydrogen
oxalate dihydrate (2MIO) which was achieved by employing the solution growth technique of …
oxalate dihydrate (2MIO) which was achieved by employing the solution growth technique of …
Growth, crystal structure, Hirshfeld surface analysis, DFT studies, physicochemical characterization, and cytotoxicity assays of novel organic triphosphate
A novel organic–inorganic hybrid compound, named (1-phenylpiperazinium) trihydrogen
triphosphate, with the formula (C10H15N2) 2H3P3O10 has been obtained by low speed of …
triphosphate, with the formula (C10H15N2) 2H3P3O10 has been obtained by low speed of …
Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations …
Abstract Synthesized compounds of N-(2-aminophenyl) benzenesulfonamide 1 and (Z)-N-(2-
((2-nitrobenzylidene) amino) phenyl) benzenesulfonamide 2 were characterized by …
((2-nitrobenzylidene) amino) phenyl) benzenesulfonamide 2 were characterized by …
Experimental (XRD, FTIR, UV–Vis, NMR) and theoretical investigations (chemical activity descriptors, NBO, DNA/ECT) of (E)-2-((2-hydroxy-5-methoxybenzylidene) …
E Güzel, Z Demircioğlu, C Çiçek, E Ağar… - Molecular Crystals and …, 2021 - Taylor & Francis
The new Schiff base of compound was synthesized and characterized by XRD, FTIR, UV–
Vis and NMR techniques. The structure with two molecules in its asymmetric unit showed the …
Vis and NMR techniques. The structure with two molecules in its asymmetric unit showed the …
Synthesis, crystallographic structure, theoretical calculations, spectral and thermal properties of trans-diaquabis (trans-4-aminoantipyrine) cobalt (II) acesulfamate
A new acesulfame derivative compound, trans-diaquabis (trans-4-aminoantipyrine) cobalt
(II) acesulfamate that formulated as (C 30 H 38 CoN 8 O 12 S 2) was synthesized and …
(II) acesulfamate that formulated as (C 30 H 38 CoN 8 O 12 S 2) was synthesized and …
X-ray structural, spectroscopic and computational approach (NBO, MEP, NLO, NPA, fukui function analyses) of (E)-2-((4-bromophenylimino) methyl)-3-methoxyphenol
Z Demircioğlu, ÇA Kaştaş… - Molecular Crystals and …, 2017 - Taylor & Francis
The title compound was isolated and investigated by experimental X-ray diffraction method
and density functional theory (DFT) calculational properties and spectroscopic …
and density functional theory (DFT) calculational properties and spectroscopic …