Journal ArticleDOI
Synthesis, X-ray crystal structure, vibrational spectroscopy, DFT calculations, electronic properties and Hirshfeld analysis of (E) -4-Bromo-N'-(2,4-dihydroxy-benzylidene) benzohydrazide
Reads0
Chats0
TLDR
In this paper, a novel hydrazone Schiff base compound was synthesized effectively by condensation of 4-bromobenzoic hydrazide and 2,4-dihydroxy benzaldehyde.About:
This article is published in Journal of Molecular Structure.The article was published on 2018-07-05. It has received 32 citations till now. The article focuses on the topics: HOMO/LUMO & Hyperpolarizability.read more
Citations
More filters
Journal ArticleDOI
Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
Khalid Karrouchi,Silvia Antonia Brandán,Yusuf Sert,Miloud El Karbane,Smaail Radi,Marilena Ferbinteanu,Yann Garcia,M'hammed Ansar +7 more
TL;DR: In this article, a (E)-N'-4methoxybenzylidene-5-methyl-1H-pyrazole-3-carbohydrazide (E-MBPC) was synthesized and characterized by FT-IR, 1H & 13C NMR and ESI-MS spectroscopic methods.
Journal ArticleDOI
Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, anti-diabetic activity and molecular docking studies of (E)-N’-(5-bromo-2-hydroxybenzylidene) isonicotinohydrazide
Khalid Karrouchi,Saad Fettach,Mukesh M. Jotani,Abir Sagaama,Smaail Radi,Hazem A. Ghabbour,Yahia N. Mabkhot,Yahia N. Mabkhot,Benacer Himmi,My El Abbes Faouzi,Noureddine Issaoui +10 more
TL;DR: In this article, the newly synthesized compound E)-N’-(5-bromo-2-hydroxybenzylidene)isonicotinohydrazide (2) has been synthesized and characterized by IR, 1H &13C NMR, ESI-MS and single crystal X-ray diffraction analysis using experimental and theoretical methods.
Journal ArticleDOI
5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies.
Dhaybia Douche,Yusuf Sert,Silvia Antonia Brandán,Ameed Ahmed Kawther,Bayram Bilmez,Necmi Dege,Ahmed El Louzi,Khalid Bougrin,Khalid Karrouchi,Banacer Himmi +9 more
TL;DR: In this paper, a potential new drug to treat SARS-CoV-2 infections and chloroquine analogue, 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol (DD1) has been synthesized and characterized by FT-IR, 1H-NMR, 13C NMR, ultraviolet-visible, ESI-MS and single-crystal X-ray diffraction.
Journal ArticleDOI
Synthesis, experimental and theoretical characterizations of a 1,2,4-triazole Schiff base and its nickel(II) complex
TL;DR: In this paper, a new Schiff base, HL, derived from condensation reaction of 2,4-dihydroxybenzaldehyde and 4-amino-3-methyl-1H-1,2-4-triazole-5(4H)-thione together with its Ni(II) complex have been synthesized and characterized by several spectroscopies methods.
Journal ArticleDOI
Crystal structure, hydrogen bonding, Hirshfeld surface analysis and inhibition efficiency of a Schiff base 2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol
TL;DR: The asymmetric unit of Schiff base of the title molecule, C18H15NO2, was synthesized from naphthalen-2-ylamine and 2-hydroxyl-3-methoxy-benzaldehyde as discussed by the authors.
References
More filters
Journal ArticleDOI
A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
Journal ArticleDOI
Single-crystal structure validation with the program PLATON
TL;DR: The results of a single-crystal structure determination when in CIF format can now be validated routinely by automatic procedures, and the concepts of validation and the classes of checks carried out by the program PLATON as part of the IUCr checkCIF facility are described.
Book
Spectrometric identification of organic compounds
TL;DR: In this paper, a sequence of procedures for identifying an unknown organic liquid using mass, NMR, IR, and UV spectroscopy is presented, along with specific examples of unknowns and their spectra.
Book
AB INITIO Molecular Orbital Theory
TL;DR: In this paper, the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena is discussed, and the formulation of theoretical molecular orbital models starting from quantum mechanics is discussed.