1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene

Yang Song; Sean Parkin; Hans Joachim Lehmler

doi:10.1107/S1600536810002977

1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene

Yang Song
, Sean Parkin
, Hans Joachim Lehmler

Chemistry

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

1 Scopus citations

Abstract

The halogen atoms of the title compound, C₈H ₆BrCl₃O₂, are located within the plane of the benzene ring [r.m.s. deviation = 0.036 (11) Å]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7 (3) and 68.5 (3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517 (2) and 0.483 (2).

Original language	English
Pages (from-to)	o487
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	66
Issue number	2
DOIs	https://doi.org/10.1107/S1600536810002977
State	Published - 2010

Keywords

Data-to-parameter ratio = 13.2
Disorder in main residue
Mean σ(C-C) = 0.005 Å
R factor = 0.038
Single-crystal X-ray study
T = 90 K
WR factor = 0.103

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S1600536810002977

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@article{5ae38948b35a4e8586ceeee57130c2da,

title = "1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene",

abstract = "The halogen atoms of the title compound, C8H 6BrCl3O2, are located within the plane of the benzene ring [r.m.s. deviation = 0.036 (11) {\AA}]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7 (3) and 68.5 (3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517 (2) and 0.483 (2).",

keywords = "Data-to-parameter ratio = 13.2, Disorder in main residue, Mean σ(C-C) = 0.005 {\AA}, R factor = 0.038, Single-crystal X-ray study, T = 90 K, WR factor = 0.103",

author = "Yang Song and Sean Parkin and Lehmler, \{Hans Joachim\}",

year = "2010",

doi = "10.1107/S1600536810002977",

language = "English",

volume = "66",

pages = "o487",

number = "2",

}

TY - JOUR

T1 - 1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene

AU - Song, Yang

AU - Parkin, Sean

AU - Lehmler, Hans Joachim

PY - 2010

Y1 - 2010

N2 - The halogen atoms of the title compound, C8H 6BrCl3O2, are located within the plane of the benzene ring [r.m.s. deviation = 0.036 (11) Å]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7 (3) and 68.5 (3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517 (2) and 0.483 (2).

AB - The halogen atoms of the title compound, C8H 6BrCl3O2, are located within the plane of the benzene ring [r.m.s. deviation = 0.036 (11) Å]. The two meth-oxy groups are twisted out of this plane, with dihedral angles of 84.7 (3) and 68.5 (3)°, and point in opposite directions. The structure is disordered by a non-crystallographic twofold rotation which superimposes Cl and Br at two of the halogen sites. The refined occupancies for the major and minor components are 0.517 (2) and 0.483 (2).

KW - Data-to-parameter ratio = 13.2

KW - Disorder in main residue

KW - Mean σ(C-C) = 0.005 Å

KW - R factor = 0.038

KW - Single-crystal X-ray study

KW - T = 90 K

KW - WR factor = 0.103

UR - https://www.scopus.com/pages/publications/76749145675

UR - https://www.scopus.com/pages/publications/76749145675#tab=citedBy

U2 - 10.1107/S1600536810002977

DO - 10.1107/S1600536810002977

M3 - Article

C2 - 21579894

AN - SCOPUS:76749145675

SN - 1600-5368

VL - 66

SP - o487

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene

Abstract

Keywords

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