2-Bromo-2-methyl-1-[4-(methylsulfanyl)-phenyl]propan-1-one

被引：0

作者：

Liu, Fei ^{[1
]}

Ren, Shi-Ying ^{[1
]}

Yang, Weill ^{[2
]}

机构：

[1] Huaiyin Inst Technol, Sch Life Sci & Chem Engn, Huaian 223003, Jiangsu, Peoples R China

[2] Zhejiang Chinese Med Univ, Grad Sch, Hangzhou 310053, Zhejiang, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

关键词：

single-crystal X-ray study; T = 153 K; mean sigma (C-C) = 0.002 A(degrees); R factor = 0.032; wR factor = 0.073; data-to-parameter ratio = 27.9;

D O I：

10.1107/S1600536812021472

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C11H13BrOS, the thioether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063 angstrom. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds, extending in zigzag chains along the b axis. A weak intramolecular C-H center dot center dot center dot Br hydrogen bond is also observed, which forms an S(6) ring motif.

引用

页码：O1759 / +

页数：7

共 9 条

[1]

[Anonymous], 2008, CRYSTALCLEAR

[2] (E)-3-(4-Fluorophenyl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one [J].

Anuradha, N. ;

Thiruvalluvar, A. ;

Mahalinga, M. ;

Butcher, R. J. .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 :O2118-U1937

[3]

Higashi, 1995, ABSCOR PROGRAM ABSOR

[4]

Liu B., 2010, Chinese Patent CN, Patent No. 101633647

[5] 2-Bromo-N-(2-hydroxy-5-methylphenyl)-2-methylpropanamide [J].

Moreno-Fuquen, Rodolfo ;

Quintero, David E. ;

Zuluaga, Fabio ;

Grande, Carlos ;

Kennedy, Alan R. .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O2446-U1281

[6] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

[7] Structure validation in chemical crystallography [J].

Spek, Anthony L. .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155

[8] publCIF: software for editing, validating and formatting crystallographic information files [J].

Westrip, Simon P. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2010, 43 :920-925

[9]

Zhao W., 2010, Chinese Patent CN, Patent No. 101659644

← 1 →