4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis

QR Code

4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis

The molecule in the title compound, C15H12N4O2, has a twisted L-shape with the dihedral angle between the aromatic rings of the N-bound benzene and C-bound benzyl groups being 70.60 (9)°. The nitro group is co-planar with the benzene ring to which it is connected [C—C—N—O torsion angle = 0.4 (3)°]....

Full description

Bibliographic Details
Main Authors:	Zukerman-Schpector, Julio, Dallasta Pedroso, Sofia, Sousa Madureira, Lucas, Weber Paixão, Márcio, Ali, Akbar, Tiekink, Edward R. T. *
Format:	Article
Language:	English
Published:	International Union of Crystallography 2017
Subjects:	QD Chemistry
Online Access:	http://eprints.sunway.edu.my/632/ http://eprints.sunway.edu.my/632/1/Acta%20Cryst.%20%282017%29.%20E73%2C%201716.pdf

Similar Items

Methyl 3-[(1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Caracelli, Ignez, et al.
Published: (2020)

4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2018)

1-Butyl-1-chloro-3-methyl-3H-2,1λ4-benzoxatellurole: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzene-1,2-dicarbonitrile: crystal structure, Hirshfeld surface analysis and energy-minimization calculations
by: Norzianah Shamsudin,, et al.
Published: (2016)

7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis
by: Ali, Akbar, et al.
Published: (2018)

(4-Nitrophenyl)methyl 2,3-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2018)

Structural systematics of aryl-1,3-dithiane derivatives: crystal and energy-minimised structures, and Hirshfeld surface analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2016)

1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde
by: Cunha, Anna C., et al.
Published: (2016)

3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
by: A. M. Al-Omary, Fatmah, et al.
Published: (2014)

2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study
by: Caracelli, Ignez, et al.
Published: (2019)

(1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2018)

[1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol
by: Cunha, Anna C., et al.
Published: (2016)

4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Dallasta Pedroso, S., et al.
Published: (2020)

1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Dallasta Pedroso, Sofia, et al.
Published: (2020)

2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis
by: Caracelli, Ignez, et al.
Published: (2018)

2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Caracelli, Ignez, et al.
Published: (2019)

The crystal structure of 1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole, C14H10IN3
by: Caracelli, Ignez, et al.
Published: (2022)

1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea
by: Ngah, Nurziana, et al.
Published: (2012)

Crystal structure of 3-(adamantan-1-yl)-4-methyl-5-{[(4-nitrophenyl)methyl]-sulfanyl}-4H-1,2,4-triazole, C20H24N4O2S
by: Al-Wahaibi, Lamya H., et al.
Published: (2022)

3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).
by: Dolzhenko, Anton, et al.
Published: (2009)

Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate
by: Dallasta Pedroso, Sofia, et al.
Published: (2020)

1-(Biphenyl-4-ylcarbonyl)-3-(2-chloro-4-nitrophenyl)thiourea
by: Mohd Yusof , Mohd Sukeri, et al.
Published: (2012)

(E)-1-(3-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
by: Harini, K. S., et al.
Published: (2017)

4-(4-Chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
by: Yeo, Chien Ing *, et al.
Published: (2019)

Bis{N′-[3-(4-nitrophenyl)-1-phenylprop-2-en-1-ylidene]-N-phenylcarbamimidothioato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study
by: Tan, Ming Yueh, et al.
Published: (2021)

Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis
by: Zaoui, Younes, et al.
Published: (2019)

Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione
by: Al-Wabli, Reem I., et al.
Published: (2015)

Structural, Hirshfeld surface and theoretical analysis of two conformational polymorphs of N,N′-bis(pyridin-3-ylmethyl)oxalamide
by: Jotani, Mukesh M., et al.
Published: (2016)

4-Amino-3-(3-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-thione
by: Hegde, Gurumurthy, et al.
Published: (2013)

Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
by: El-Emam, Ali A., et al.
Published: (2014)

3-Pyridin-2-yl-1H-1,2,4-triazol-5-amine.
by: Dolzhenko, Anton, et al.
Published: (2009)

Crystal Structures And Analysis Of 1,2,4 Triazole And Pyrazole Compounds
by: Goh , Jia Hao
Published: (2011)

3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}-1H-1, 2,4-triazole-5(4H)-thione
by: Hegde, Gurumurthy, et al.
Published: (2013)

N-Carbethoxy-N'-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]thiourea
by: Dolzhenko, Anton, et al.
Published: (2010)

3,5-Bis(4-hydroxyphenyl)-4H-1,2,4-triazol-4-amine monohydrate
by: Silong, Sidik, et al.
Published: (2010)

Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te
by: Caracelli, Ignez, et al.
Published: (2020)

Synthesis, Characterization and Antioxidant Activity of 1, 2, 4-Triazole Schiff Base
by: Teh, Chor Chin
Published: (2016)

Synthesis of 3-(5-amino-1H-1,2,4-triazol-3-yl) propanamides and their tautomerism
by: Lim, Felicia Phei Lin, et al.
Published: (2018)

Synthesis of 3-(5-amino-1H-1,2,4-triazol-3-yl)propanamides and their tautomerism
by: Lim, F., et al.
Published: (2018)