Synthesis, Crystal Structure, and DFT Study of Ethyl 1-(2-(Hydroxyimino)-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate

Synthesis, Crystal Structure, and DFT Study of Ethyl 1-(2-(Hydroxyimino)-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate

The crystal structure of ethyl 1-(2-(hydroxyimino)-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate has been determined by X-ray single crystal diffraction. The crystal of the title compound is the monoclinic space group P2/c with unit cell parameters of a=8.634(2) Å, b=9.616(2) Å, c=22.190(3) Å, β...

Full description

Saved in:

Bibliographic Details
Main Authors:	Jin-Hui Zhou, Liang-Wen Zheng, Mao-Cai Yan, Mao-Jian Shi, Jing Liu, Guo-Qiang Shangguan
Format:	Article
Language:	English
Published:	Wiley 2017-01-01
Series:	Journal of Chemistry
Online Access:	http://dx.doi.org/10.1155/2017/6537402
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Benzyl 2-Phenyl-1<i>H</i>-pyrrole-1-carboxylate
by: Sung-Gon Kim
Published: (2025-03-01)

Comprehensive DFT study of 3-(2-furyl)-1 H-pyrazole-5-carboxylic acid: structural, spectroscopic, and electronic properties with optoelectronic implications
by: Mücahit Yılmaz
Published: (2025-07-01)

The crystal structure of 4-chloro-1H-pyrazole-3-carboxylic acid, C4H3ClN2O2
by: Du DaoHang, et al.
Published: (2025-08-01)

Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2
by: Wei Wei, et al.
Published: (2022-08-01)

The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
by: Da Weihao, et al.
Published: (2023-10-01)

Synthesis, biological evaluation, molecular docking, and DFT calculation of novel 4-(1H-indol-3-yl)-3-methyl-1-phenyl-1H-furo[2,3-c]pyrazole derivatives
by: Mahmoud Nassiri, et al.
Published: (2025-03-01)

Structure of (E)-4-amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one: aerial oxidation of 4-aminoantipyrine in dimethylformamide
by: R. Kumaravel, et al.
Published: (2025-05-01)

The crystal structure of ethyl 6-(2-nitrophenyl)imidazo[2,1-b]thiazole-3-carboxylate, C14H11N3O4S
by: Li Yong, et al.
Published: (2025-06-01)

Crystal structure of (Z)-2-(1-bromo-2-phenylvinyl)-5-ethyl-2-methyl-1,3-dioxane-5-carboxylic acid, C15H17Br1O4
by: Jia Guo-Kai, et al.
Published: (2022-08-01)

Ethyl 4<i>H</i>-Pyran-4-one-2-carboxylate
by: R. Alan Aitken, et al.
Published: (2024-12-01)

The crystal structure of R-2′-amino-N-methyl-N-(1-phenylethyl)-[1,1′-biphenyl]-4-carboxamide, C22H22N2O
by: Yao Yi, et al.
Published: (2025-08-01)

Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid dimethyl sulfoxide monosolvate, C4H2N3O4⋅C2H6OS
by: Radović Ana, et al.
Published: (2025-08-01)

Crystal structure of 7-(dimethylamino)-2-hydroxy-2-(trifluoromethyl)-2H-chromene-3-ethyl carboxylate, C15H16F3NO4
by: Yue Ruifeng, et al.
Published: (2025-04-01)

Synthesis and Structural Insight into the Bioactivity of Imines with 1,5-Dimethyl-2-Phenyl-1H-Pyrazol-3(2H)-One Structural Unit Derived from Phenolic Aldehydes
by: Muamer Dizdar, et al.
Published: (2025-01-01)

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[4-(2-methylpropyl)phenyl]-N′-[(1Z)-1-(thiophen-2-yl)ethylidene]propanehydrazide
by: Sarayu Jayadevan, et al.
Published: (2025-05-01)

Corrosion Inhibition of Mild Steel in Acidic Media by 5′-Phenyl-2′,4′-dihydrospiro[indole-3,3′-pyrazol]-2(1H)-one
by: M. Jannathul Firdhouse, et al.
Published: (2013-01-01)

Synthesis, and antibacterial activities of novel 1,3,4a,9-tetraza-4H-fluoren-2-amines incorporating phenoxy-N-arylacetamide, pyrazole, and 2-(4-(1-phenyl-1H-pyrazol-3-yl)phenoxy)-N-arylacetamide moieties
by: Reham E. Abdelwahab, et al.
Published: (2025-03-01)

Corrosion Inhibition and Adsorption Properties of N‑{2-[2-(5-Methyl‑1H‑pyrazol-3-yl)acetamido]phenyl}benzamide Monohydrate on C38 Steel in 1 M HCl: Insights from Electrochemical Analysis, DFT, and MD Simulations
by: Karim Azgaou, et al.
Published: (2025-02-01)

Crystal structure of (E)-1-(5-bromo-2-hydroxyphenyl)-3-(5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one, C26H21BrN2O4
by: Shin Soon Young, et al.
Published: (2025-02-01)

Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate
by: Nor Habibah Mohd Rosli, et al.
Published: (2024-11-01)

Crystal structure of 1-(p-tolylphenyl)-4-(2-thienoyl)-3-methyl-1H-pyrazol-5-ol, C16H14N2O2S
by: Jin Tong-Yin, et al.
Published: (2025-06-01)

Thermal, Electrical, and Optical Properties of Synthesized (1E, 2E)-(4-bromophenyl)(hydroxyimino)acetaldehyde Oxime Complexes
by: Emin Karapinar, et al.
Published: (2013-01-01)

Crystal structure of 1-[(4-chlorophenyl)diphenylylmethyl]-3-(trifluoromethyl)-1H-pyrazole
by: Firudin I. Guseinov, et al.
Published: (2025-03-01)

Synthesis and evaluation of the antifungal activity of 5-hydroxy-3-phenyl-1H-pyrazole-1-carbothioamide for use in the oral environment
by: Hossein Amin Zadeh, et al.
Published: (2024-03-01)

Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2
by: Zhao Ji-Xing, et al.
Published: (2022-08-01)

The Beneficial Effects of a N-(1-Carbamoyl-2-phenyl-ethyl) Butyramide on Human Keratinocytes
by: Franca Oglio, et al.
Published: (2025-04-01)

Synthesis, structure and properties of N-R-2-(5-(5-methyl-1H-pyrazole-3-yl)-4-phenyl-4H-1,2,4-triazole-3-ylthio)acetamides
by: A. S. Hotsulia, et al.
Published: (2019-03-01)

Utility of 3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde in the synthesis of novel 1,3,4-thiadiazoles or 1,3-thiazoles and study their cytotoxic activity
by: Anhar Abdel-Aziem, et al.
Published: (2025-08-01)

1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)
by: Firudin I. Guseinov, et al.
Published: (2025-06-01)

The crystal structure of 2-ethyl-1,1-dimethyl-1H-benzo[e]indole, C16H17N
by: Liu Pengjue, et al.
Published: (2024-12-01)

Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-1H-imidazole
by: Thaluru M. Mohan Kumar, et al.
Published: (2025-07-01)

Synthetic Studies on Potent Marine Drugs: Synthesis and the Crystal Structure of 6-tert-butyl-4-phenyl-4H-chromene-2-carboxylic Acid
by: Hui-Jing Li, et al.
Published: (2013-01-01)

Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
by: Atash V. Gurbanov, et al.
Published: (2025-02-01)

Crystal structure of N-((3-cyano-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-5-yl)carbamoyl)-2,6-difluorobenzamide, C20H7Cl2F8N5O3S
by: Fang Yingchun, et al.
Published: (2025-06-01)

Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2
by: Kočović David, et al.
Published: (2023-10-01)

Synthesis of New Heterocyclic Derivatives from 4-(3, 5-Dimethyl-1-phenyl-1H-pyrazol-4-ylazo)- benzoic acid
by: Baghdad Science Journal
Published: (2010-03-01)

Preparation and Spectral Study of New Complexes of Some Metal Ions with 3,5-Dimethyl-1H-Pyrazol-1-yl Phenyl Methanone
by: Baghdad Science Journal
Published: (2011-12-01)

Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies of 4′-(benzyloxy)-[1,1′-biphenyl]-3-carboxylic acid
by: M. Harish Kumar, et al.
Published: (2025-03-01)

The crystal structure of methyl 4-(4-(methylsulfonyl)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H21NO5S
by: Li Yaoyao, et al.
Published: (2025-02-01)

2-([1,1′-Biphenyl]-4-yl)-5-[(<i>E</i>)-2-(3-methoxy-1-phenyl-1<i>H</i>-pyrazol-4-yl)ethenyl]-3,3-dimethyl-3<i>H</i>-indole
by: Gabrielė Varvuolytė, et al.
Published: (2024-11-01)