Crystal structure and molecular docking study of (E)-2-{[(E)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one

Crystal structure and molecular docking study of (E)-2-{[(E)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one

The title compound, C22H18N2O2, is a Schiff base that exists in the phenol–imine tautomeric form and adopts an E configuration with respect to the C=N bond. The molecular structure is stabilized by an O—H...N hydrogen bond, forming an S(6) ring motif. In the crystal, pairs of C—H...O hydrogen bonds...

Full description

Bibliographic Details
Main Authors:	Sevgi Kansiz, Digdem Tatlidil, Necmi Dege, Feyzi Alkim Aktas, Samir Osman Mohammed Al-Asbahy, Aysen Alaman Agar
Format:	Article
Language:	English
Published:	International Union of Crystallography 2021-06-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure schiff base diphenylethan molecular docking covid-19 main protease
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989021005442

Similar Items

Crystal structure and Hirshfeld surface analysis of 2,2′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate
by: Sevgi Kansiz, et al.
Published: (2019-11-01)

Crystal structure and Hirshfeld surface analysis of N,N′-bis(3-tert-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
by: Pinar Sen, et al.
Published: (2018-08-01)

Crystal structure and Hirshfeld surface analysis of (Z)-6-[(2-hydroxy-5-nitroanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one
by: Sevgi Kansiz, et al.
Published: (2019-06-01)

Crystal structure and Hirshfeld surface analysis of (Z)-6-[(2-hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one
by: Sevgi Kansiz, et al.
Published: (2019-06-01)

Crystal structure and Hirshfeld surface analysis of (E)-N-[(2-ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine
by: Sevgi Kansiz, et al.
Published: (2018-10-01)

Synthesis, molecular structure, Hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol)
by: Pınar Şen, et al.
Published: (2019-06-01)

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile
by: Md. Serajul Haque Faizi, et al.
Published: (2020-08-01)

Crystal structure and Hirshfeld surface analysis of (E)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol
by: Sevgi Kansiz, et al.
Published: (2020-10-01)

Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shiff base ligand 6,6′-{(1E,1′E)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]
by: Sibel Demir Kanmazalp, et al.
Published: (2019-03-01)

In vitro Non-Small Cell Lung Cancer Inhibitory Effect by New Diphenylethane Isolated From Stems and Leaves of Dioscorea oppositifolia L. via ERβ-STAT3 Pathway
by: Mengnan Zeng, et al.
Published: (2021-02-01)

Crystal structure and Hirshfeld surface analysis of N,N′-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)
by: Seher Meral, et al.
Published: (2019-01-01)

Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol
by: Sevgi Kansiz, et al.
Published: (2018-12-01)

Crystal structure of (E)-N-cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-carbothioamide
by: Md. Azharul Arafath, et al.
Published: (2019-07-01)

Crystal structure and Hirshfeld surface analysis of ((S,S)-2,2′-{[(1,2-diphenylethane-1,2-diyl)bis[(azaniumylylidene)methanylylidene]}bis(6-methoxyphenolato))trinitratosamarium(III)
by: Yuta Okumura, et al.
Published: (2021-05-01)

Crystal structure and Hirshfeld surface analysis of N-{2-[(E)-(4-methylbenzylidene)amino]phenyl}-2-(5-methyl-1-H-pyrazol-3-yl)acetamide hemihydrate
by: Karim Chkirate, et al.
Published: (2019-02-01)

(E)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis
by: Onur Erman Doğan, et al.
Published: (2019-12-01)

Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline
by: Sevgi Kansiz, et al.
Published: (2021-02-01)

Crystal structure and Hirshfeld surface analysis of a Schiff base: (Z)-6-[(5-chloro-2-methoxyanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one
by: Sibel Demir Kanmazalp, et al.
Published: (2019-03-01)

Crystal structure and DFT study of (E)-2-chloro-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate
by: Necmi Dege, et al.
Published: (2019-06-01)

(E)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol
by: Gönül Sevde Öv Bodur, et al.
Published: (2017-02-01)

(Z)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol
by: Sibel Demir Kanmazalp, et al.
Published: (2019-04-01)

(E)-2-(2-Hydroxy-3-methylbenzylidene)-N-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H...S and C—H...π interactions
by: Md. Azharul Arafath, et al.
Published: (2019-05-01)

6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3H-2&#955;6,1-benzothiazine-2,2-dione
by: Muhammad Shafiq, et al.
Published: (2011-08-01)

Synthesis, Crystal Structure and Catalytic Property of a Cobalt(III) Compound Derived From 2-Bromo-N’-(2-Hydroxy-5-Methylbenzylidene)Benzohydrazide
by: Fu-Ming Wang
Published: (2016-05-01)

Crystal structure, DFT and MEP study of (E)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol
by: Hanife Saraçoğlu, et al.
Published: (2020-02-01)

Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol
by: Md. Serajul Haque Faizi, et al.
Published: (2017-10-01)

1,2-Diphenylethane-1,2-diyl diisonicotinate monohydrateContribution No 20272019.
by: Wang Xin, et al.
Published: (2008-10-01)

(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methylbenzylidene)hydrazinylidene]-3,4-dihydro-1H-2,1-benzothiazine 2,2-dioxide
by: Muhammad Shafiq, et al.
Published: (2012-02-01)

Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]
by: Sevgi Kansiz, et al.
Published: (2018-09-01)

The crystal structure of 2-[(tert-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one
by: Martin J. Di Grandi, et al.
Published: (2019-04-01)

Crystal structure of (E)-2-hydroxy-1,2-diphenylethan-1-one oxime
by: Hans Reuter, et al.
Published: (2017-07-01)

Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-c][1,3,5]benzoxadiazocine
by: Mustafa Kemal Gumus, et al.
Published: (2018-09-01)

Crystal structure and Hirshfeld surface analysis of (E)-N-[(2-ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine. Corrigendum
by: Sevgi Kansiz, et al.
Published: (2018-12-01)

Crystal structure of (1S,2R)-2-hydroxy-1,2-diphenylethan-1-aminium (S)-2-azaniumylbutanedioate monohydrate
by: Isao Fujii
Published: (2017-12-01)

Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue
by: Rohit B. Manawar, et al.
Published: (2020-01-01)

{1-[1-(2-Hydroxyphenyl)ethylidene]-2-(pyridin-2-yl-κN)hydrazine-κ2N′,O}{1-[1-(2-oxidophenyl)ethylidene]-2-(pyridin-2-yl-κN)hydrazine-κ2N′,O}nickelate(II) nitrate hemihydrate
by: Sarr Mamour, et al.
Published: (2018-05-01)

Crystal structure and DFT study of (E)-N-[2-(1H-indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine
by: Md. Serajul Haque Faizi, et al.
Published: (2017-09-01)

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-2-{[(3-chloro-4-methylphenyl)imino]methyl}-4-methylphenol
by: Md. Serajul Haque Faizi, et al.
Published: (2020-08-01)

Crystal structure of di-μ-chlorido-bis(chlorido{N1,N1-diethyl-N4-[(pyridin-2-yl-κN)methylidene]benzene-1,4-diamine-κN4}mercury(II))
by: Md. Serajul Haque Faizi, et al.
Published: (2017-06-01)

Untersuchungen zur Reaktivität carbokationischer Zwischenstufen bei heterogen induzierten polaren Reaktionen
by: Adolph, Simone
Published: (1999)