Cargando…

Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks and computational studies of Schiff base derivative

The compound (E)-ethyl 3-(2-(2,4-dinitrophenyl)hydrazono)butanoate (3) was synthesised and crystallized using ethanol as a solvent. The compound was characterized by (1)H NMR, and single crystal X-ray diffraction. The compound crystallizes in the monoclinic crystal system with the space group P2(1)/...

Descripción completa

Detalles Bibliográficos
Autores principales:	Chandini, K.M., Nagesh Khadri, M.J., Amoghavarsha, N., Sridhar, M.A., Khanum, Shaukath Ara
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9434054/ https://www.ncbi.nlm.nih.gov/pubmed/36061005 http://dx.doi.org/10.1016/j.heliyon.2022.e10047

Ejemplares similares

Design, synthesis, docking, Hirshfeld surface analysis and DFT calculations of 2-methylxanthen-9-with the FtsZ protein from Staphylococcus aureus
por: Ranganatha, V Lakshmi, et al.
Publicado: (2021)

Crystal Structure, Hirshfeld Surface Analysis, and Biological Activities of Schiff-Base Derivatives of 4-Aminoantipyrine
por: Aguilar-Llanos, Esteban, et al.
Publicado: (2023)

Synthesis, crystal structures, Hirshfeld surface analysis and spectroscopic studies of two Schiff bases of anisaldehyde and their urease and acetylcholinesterase inhibitory and antioxidant properties
por: Muhammad, Amber Jan, et al.
Publicado: (2019)

Recent investigations into synthesis and pharmacological activities of phenoxy acetamide and its derivatives (chalcone, indole and quinoline) as possible therapeutic candidates
por: Al-Ostoot, Fares Hezam, et al.
Publicado: (2021)

Crystal structure, Hirshfeld surface analysis and computational study of a rhodamine B–salicylaldehyde Schiff base derivative
por: Suramitr, Songwut, et al.
Publicado: (2020)

l-Isoleucine-Schiff Base Copper(II) Coordination Polymers: Crystal Structure, Spectroscopic, Hirshfeld Surface, and DFT Analyses
por: Chavez-Urias, Iván F., et al.
Publicado: (2023)

Correction: The critical role of novel benzophenone analogs on tumor growth inhibition targeting angiogenesis and apoptosis
por: Mohammed, Yasser Hussein Eissa, et al.
Publicado: (2018)

Competent synthesis of biaryl analogs via asymmetric Suzuki–Miyaura cross-coupling for the development of anti-inflammatory and analgesic agents
por: Gurupadaswamy, H. D., et al.
Publicado: (2022)

A cinnamaldehyde Schiff base of S-(4-methylbenzyl) dithiocarbazate: crystal structure, Hirshfeld surface analysis and computational study
por: Yusof, Enis Nadia Md, et al.
Publicado: (2017)

Synthesis and Evaluation of Benzophenone-N-ethyl Morpholine Ethers as Anti-inflammatory Agents
por: Khanum, Shaukath A., et al.
Publicado: (2010)

Crystal structure and Hirshfeld surface analysis of pulcherrin J
por: Ogbeide, K. Osahon, et al.
Publicado: (2017)

Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol
por: McAdam, C. John, et al.
Publicado: (2022)

Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl N-acetylcarbamate
por: El Mestehdi, Aly Dawa, et al.
Publicado: (2022)

Synthesis, structural characterization, and DFT studies of anti-cancer drug N-(2-Aminophenyl)-2-(4-bromophenoxy)acetamide
por: Chandana, S.N., et al.
Publicado: (2021)

Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis
por: Leela, Sundararaman, et al.
Publicado: (2020)

Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration
por: Ashfaq, Muhammad, et al.
Publicado: (2022)

Crystal structure, DFT studies, Hirshfeld surface and energy framework analysis of 4-(5-nitro-thiophen-2-yl)-pyrrolo [1, 2-a] quinoxaline: A potential SARS-CoV-2 main protease inhibitor
por: Divya, K.M., et al.
Publicado: (2022)

Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole
por: Mohamooda Sumaya, U., et al.
Publicado: (2018)

Synthesis, Structural Characterization, Hirshfeld Surface Analysis, and Antibacterial Study of Pd(II) and Ni(II) Schiff Base Complexes Derived from Aliphatic Diamine
por: Nasaruddin, Nur Husnina, et al.
Publicado: (2022)

Ethyl 2-(4-benzoyl-2,5-dimethylphenoxy)acetate
por: Devarajegowda, H. C., et al.
Publicado: (2009)

Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer
por: Abad, Nadeem, et al.
Publicado: (2023)

m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis
por: Guesmi, Afef, et al.
Publicado: (2016)

Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane
por: Domasevitch, Kostiantyn V., et al.
Publicado: (2020)

Crystal Structure and Hirshfeld Surface Analysis of Acetoacetanilide Based Reaction Products
por: Naghiyev, Farid N., et al.
Publicado: (2020)

Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate
por: Akduran, Nurcan, et al.
Publicado: (2021)

Racemic mefloquinium chlorodifluoroacetate: crystal structure and Hirshfeld surface analysis
por: Wardell, James L., et al.
Publicado: (2018)

Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate
por: Siva, V., et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of lapachol acetate 80 years after its first synthesis
por: Martínez-Cabrera, Miguel A., et al.
Publicado: (2019)

Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)
por: Ghallab, Rochdi, et al.
Publicado: (2020)

Polymorphs of Substituted p-Toluenesulfonanilide: Synthesis, Single-Crystal Analysis, Hirshfeld Surface Exploration, and Theoretical Investigation
por: Riaz, Mehreen, et al.
Publicado: (2023)

Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate
por: Anbarasan, Radhakrishnan, et al.
Publicado: (2020)

Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study
por: Babashkina, Maria G., et al.
Publicado: (2021)

4-Chloro-2-(2-chlorobenzoyl)phenol
por: Bushra Begum, A., et al.
Publicado: (2013)

2-Benzoyl-4-chlorophenyl benzoate
por: Begum A, Bushra, et al.
Publicado: (2013)

Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (RS)-trichlormethiazide
por: Toro, Robert A., et al.
Publicado: (2022)

Design, Synthesis, Characterization, and Analysis of Antimicrobial Property of Novel Benzophenone Fused Azetidinone Derivatives through In Vitro and In Silico Approach
por: Venkataravanappa, Lakshmi Ranganatha, et al.
Publicado: (2022)

2,2′:4,4′′:4′,4′′′-Quaterpyridine: synthesis, crystal-structure description, and Hirshfeld surface analysis
por: Aderinto, Stephen O., et al.
Publicado: (2023)

Efficient Synthesis of Imine-Carboxylic Acid Functionalized Compounds: Single Crystal, Hirshfeld Surface and Quantum Chemical Exploration
por: Tahir, Muhammad Nawaz, et al.
Publicado: (2023)

Synthesis, crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN (1))cobalt(II) fumarate
por: Kansiz, Sevgi, et al.
Publicado: (2018)

Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis
por: Wardell, James L., et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_7917347ccko5ol092nfia4c7so