(4-Nitrophenyl)methyl 2,3-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis

QR Code

(4-Nitrophenyl)methyl 2,3-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis

In the title compound, C12H12N2O4, the dihydropyrrole ring is almost planar (r.m.s. deviation = 0.0049 A ˚ ) and is nearly coplanar with the adjacent C2O2 residue [dihedral angle = 4.56 (9˚)], which links to the 4-nitrobenzene substituent [dihedral angle = 4.58 (8˚)]. The molecule is concave, with...

Full description

Bibliographic Details
Main Authors:	Zukerman-Schpector, Julio, Soto-Monsalve, Monica, De Almeida Santos, Regina H., Garcia, Ariel L. L., Correia, Carlos Roque D., Jotani, Mukesh M., Tiekink, Edward R. T. *
Format:	Article
Language:	English
Published:	2018
Subjects:	QD Chemistry
Online Access:	http://eprints.sunway.edu.my/774/ http://eprints.sunway.edu.my/774/1/Tieknink%204%20Nitrophenyl%20Acta%20Cryst.%202018%20E74%20371.pdf

Similar Items

(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)

Crystal structure of tert-butyl 2-(hydroxymethyl)-5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1-carboxylate, C18H24N2O5
by: Caracelli, Ignez, et al.
Published: (2020)

Crystal structure of 2-tert-butyl 1-methyl 5-{4-[(methoxycarbonyl)amino]phenyl}-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate, C19H24N2O6
by: Caracelli, Ignez, et al.
Published: (2020)

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)

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

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)

3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

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)

Crystal structure of tert-butyl (1S,2R,5R)-2-(hydroxymethyl)-4-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, C17H23NO5
by: Caracelli, Ignez, et al.
Published: (2020)

Synthesis, crystal structure and Hirshfeld surface analysis of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-1-methyl-5-oxo-2,5-dihydro- 1H-pyrrole-3-carboxylate
by: Fatin Nur Ain, Abdul Rashid, et al.
Published: (2023)

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)

2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2H-benzo[h]chromene-5,6-dione: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

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)

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)

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)

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

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)

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)

Pharmacological characterization of annexin A2-S100A10 interaction in pancreatic cancer using 1,5-dihydro-pyrrol-2-one compounds
by: Elfsei, Khalid
Published: (2016)

New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis
by: Fong, Sheen Kuan, et al.
Published: (2017)

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)

Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate
by: Asiri, Abdullah M., et al.
Published: (2019)

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

Ethyl 1-(2,4-dichlorobenzyl)-4-oxo-7-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate
by: Hegde, Gurumurthy, et al.
Published: (2012)

The 1:1 co-crystal of 2-bromonaphthalene-1,4-dione and 1,8-dihydroxyanthracene-9,10-dione: crystal structure and Hirshfeld surface analysis
by: Tonin, Marlon D. L., et al.
Published: (2017)

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)

Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4
by: Caracelli, Ignez, et al.
Published: (2020)

2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate: Crystal structure and Hirshfeld surface analysis
by: Wardell, James L., et al.
Published: (2018)

Zwitterionic 1-{(1E)-[(4-hydroxyphenyl)iminio]methyl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis
by: Devika, Bhai R., et al.
Published: (2017)

N′-(1,3-Benzothiazol-2-yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Baddeley, T. C., et al.
Published: (2019)

3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study
by: Tan, Sang Loon *, et al.
Published: (2020)

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

N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis
by: Ramani, Vivek C, et al.
Published: (2018)

N′-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate: crystal structure and Hirshfeld surface analysis
by: Lee, See Mun *, et al.
Published: (2017)

Crystal structure and Hirshfeld surface analysis of 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 2-hydroxy-2-phenylacetate hemihydrate
by: Wardell, James L., et al.
Published: (2016)

1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis
by: Tan, Ming Yueh, et al.
Published: (2017)

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

2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate): crystal structure and Hirshfeld surface analysis
by: Jotani, Mukesh M., et al.
Published: (2016)