Intramolecular interactions in ethyl bis-(2,4-dinitrophenyl)acetate

Erdal Ertas; Turan Ozturk; John D. Wallis; William H. Watson

doi:10.1023/A:1022472427510

Intramolecular interactions in ethyl bis-(2,4-dinitrophenyl)acetate

Erdal Ertas, Turan Ozturk^*, John D. Wallis, William H. Watson

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

The crystal structure of ethyl bis(2,4-dinitrophenyl)acetate, determined by room temperature X-ray diffraction, shows that this crowded molecule contains two short intramolecular interactions between nitro oxygen atoms and electron deficient carbon atoms. One mimics an early stage of the nucleophilic addition to a carbonyl group (O⋯C, 2.730 Å), and the other mimics an early stage of a Michael reaction (O⋯C, 2.854 Å). Crystal data: C₁₆H₁₂N₄O₁₀, M_r = 420.29, a = 10.079(1), = 11.139(1), c = 16.162(1) Å, β = 91.319(7)°, monoclinic, P2₁/c, Z = 4.

Original language	English
Pages (from-to)	409-412
Number of pages	4
Journal	Journal of Chemical Crystallography
Volume	28
Issue number	5
DOIs	https://doi.org/10.1023/A:1022472427510
Publication status	Published - May 1998
Externally published	Yes

Keywords

Electron deficient
Intramolecular interactions
Michael reaction
Nitro

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10.1023/A:1022472427510

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@article{546ce690667f4eb8875736d24a471e87,

title = "Intramolecular interactions in ethyl bis-(2,4-dinitrophenyl)acetate",

abstract = "The crystal structure of ethyl bis(2,4-dinitrophenyl)acetate, determined by room temperature X-ray diffraction, shows that this crowded molecule contains two short intramolecular interactions between nitro oxygen atoms and electron deficient carbon atoms. One mimics an early stage of the nucleophilic addition to a carbonyl group (O⋯C, 2.730 {\AA}), and the other mimics an early stage of a Michael reaction (O⋯C, 2.854 {\AA}). Crystal data: C16H12N4O10, Mr = 420.29, a = 10.079(1), = 11.139(1), c = 16.162(1) {\AA}, β = 91.319(7)°, monoclinic, P21/c, Z = 4.",

keywords = "Electron deficient, Intramolecular interactions, Michael reaction, Nitro",

author = "Erdal Ertas and Turan Ozturk and Wallis, {John D.} and Watson, {William H.}",

year = "1998",

month = may,

doi = "10.1023/A:1022472427510",

language = "English",

volume = "28",

pages = "409--412",

journal = "Journal of Chemical Crystallography",

issn = "1074-1542",

publisher = "Springer New York",

number = "5",

}

TY - JOUR

T1 - Intramolecular interactions in ethyl bis-(2,4-dinitrophenyl)acetate

AU - Ertas, Erdal

AU - Ozturk, Turan

AU - Wallis, John D.

AU - Watson, William H.

PY - 1998/5

Y1 - 1998/5

N2 - The crystal structure of ethyl bis(2,4-dinitrophenyl)acetate, determined by room temperature X-ray diffraction, shows that this crowded molecule contains two short intramolecular interactions between nitro oxygen atoms and electron deficient carbon atoms. One mimics an early stage of the nucleophilic addition to a carbonyl group (O⋯C, 2.730 Å), and the other mimics an early stage of a Michael reaction (O⋯C, 2.854 Å). Crystal data: C16H12N4O10, Mr = 420.29, a = 10.079(1), = 11.139(1), c = 16.162(1) Å, β = 91.319(7)°, monoclinic, P21/c, Z = 4.

AB - The crystal structure of ethyl bis(2,4-dinitrophenyl)acetate, determined by room temperature X-ray diffraction, shows that this crowded molecule contains two short intramolecular interactions between nitro oxygen atoms and electron deficient carbon atoms. One mimics an early stage of the nucleophilic addition to a carbonyl group (O⋯C, 2.730 Å), and the other mimics an early stage of a Michael reaction (O⋯C, 2.854 Å). Crystal data: C16H12N4O10, Mr = 420.29, a = 10.079(1), = 11.139(1), c = 16.162(1) Å, β = 91.319(7)°, monoclinic, P21/c, Z = 4.

KW - Electron deficient

KW - Intramolecular interactions

KW - Michael reaction

KW - Nitro

UR - http://www.scopus.com/inward/record.url?scp=0032365576&partnerID=8YFLogxK

U2 - 10.1023/A:1022472427510

DO - 10.1023/A:1022472427510

M3 - Article

AN - SCOPUS:0032365576

SN - 1074-1542

VL - 28

SP - 409

EP - 412

JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

IS - 5

ER -

Intramolecular interactions in ethyl bis-(2,4-dinitrophenyl)acetate

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