2,4-dichloro-1-iodo-6-nitrobenzene

Xueshu Li; Sean Parkin; Hans Joachim Lehmler

doi:10.1107/S1600536814008733

2,4-dichloro-1-iodo-6-nitrobenzene

Xueshu Li, Sean Parkin, Hans Joachim Lehmler

Chemistry

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

4 Scopus citations

Abstract

In the crystal structure of the title compound, C₆H ₂Cl₂INO₂, there are weak C - H⋯Cl interactions and I⋯O [3.387(4)Å] close contacts. These interactions form sheets in the ac plane, with the closest contact between adjacent planes occurring between inversion-related nitro O atoms [3.025(8)Å]. The molecule possesses mirror symmetry, with the halogen, N and C atoms all lying in the mirror plane. Hence, the dihedral angle between the benzene ring and the nitro group is 90°.

Original language	English
Pages (from-to)	o607
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	70
Issue number	5
DOIs	https://doi.org/10.1107/S1600536814008733
State	Published - May 2014

Keywords

R factor = 0.037
T = 90 K
data-to-parameter ratio = 12.1
mean σ(C-C) = 0.009 A°
single-crystal X-ray study
wR factor = 0.098

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S1600536814008733

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@article{5f64d092f588483bae2c4df5e7b1e9d0,

title = "2,4-dichloro-1-iodo-6-nitrobenzene",

abstract = "In the crystal structure of the title compound, C6H 2Cl2INO2, there are weak C - H⋯Cl interactions and I⋯O [3.387(4){\AA}] close contacts. These interactions form sheets in the ac plane, with the closest contact between adjacent planes occurring between inversion-related nitro O atoms [3.025(8){\AA}]. The molecule possesses mirror symmetry, with the halogen, N and C atoms all lying in the mirror plane. Hence, the dihedral angle between the benzene ring and the nitro group is 90°.",

keywords = "R factor = 0.037, T = 90 K, data-to-parameter ratio = 12.1, mean σ(C-C) = 0.009 A°, single-crystal X-ray study, wR factor = 0.098",

author = "Xueshu Li and Sean Parkin and Lehmler, {Hans Joachim}",

year = "2014",

month = may,

doi = "10.1107/S1600536814008733",

language = "English",

volume = "70",

pages = "o607",

number = "5",

}

TY - JOUR

T1 - 2,4-dichloro-1-iodo-6-nitrobenzene

AU - Li, Xueshu

AU - Parkin, Sean

AU - Lehmler, Hans Joachim

PY - 2014/5

Y1 - 2014/5

N2 - In the crystal structure of the title compound, C6H 2Cl2INO2, there are weak C - H⋯Cl interactions and I⋯O [3.387(4)Å] close contacts. These interactions form sheets in the ac plane, with the closest contact between adjacent planes occurring between inversion-related nitro O atoms [3.025(8)Å]. The molecule possesses mirror symmetry, with the halogen, N and C atoms all lying in the mirror plane. Hence, the dihedral angle between the benzene ring and the nitro group is 90°.

AB - In the crystal structure of the title compound, C6H 2Cl2INO2, there are weak C - H⋯Cl interactions and I⋯O [3.387(4)Å] close contacts. These interactions form sheets in the ac plane, with the closest contact between adjacent planes occurring between inversion-related nitro O atoms [3.025(8)Å]. The molecule possesses mirror symmetry, with the halogen, N and C atoms all lying in the mirror plane. Hence, the dihedral angle between the benzene ring and the nitro group is 90°.

KW - R factor = 0.037

KW - T = 90 K

KW - data-to-parameter ratio = 12.1

KW - mean σ(C-C) = 0.009 A°

KW - single-crystal X-ray study

KW - wR factor = 0.098

UR - http://www.scopus.com/inward/record.url?scp=84899979715&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84899979715&partnerID=8YFLogxK

U2 - 10.1107/S1600536814008733

DO - 10.1107/S1600536814008733

M3 - Article

AN - SCOPUS:84899979715

SN - 1600-5368

VL - 70

SP - o607

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 5

ER -

2,4-dichloro-1-iodo-6-nitrobenzene

Abstract

Keywords

ASJC Scopus subject areas

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