3-(2-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran

被引:0
作者
Choi, Hong Dae [1 ]
Seo, Pil Ja [1 ]
Lee, Uk [2 ]
机构
[1] Dong Eui Univ, Dept Chem, Busan 614714, South Korea
[2] Pukyong Natl Univ, Dept Chem, 599-1 Daeyeon 3-Dong, Busan 608737, South Korea
关键词
data-to-parameter ratio = 17.1; meanω(C - C) = 0.004 A °; Rfactor = 0.033; single-crystal X-ray study; T = 173 K; wRfactor = 0.085;
D O I
10.1107/S1600536813019867
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C17H15BrO2S, both the benzofuran and 2-bromophenyl rings are virtually planar, with r.m.s. deviations of 0.009 (2) and 0.006 (2) angstrom, respectively. The dihedral angle between these mean planes is 89.31 (7)degrees. In the crystal, molecules are linked via pairs of C-H center dot center dot center dot pi interactions into inversion dimers. These dimers are further linked by C-H center dot center dot center dot pi interactions into supramolecular chains running along the b axis. In addition, C-S center dot center dot center dot pi interactions, with an S-to-ring-centroid distance of 3.50 (2) angstrom, are observed between inversion-related dimers.
引用
收藏
页码:O1299 / +
页数:8
相关论文
共 6 条
[1]  
Brandenburg K., 1998, DIAMOND
[2]  
*BRUK AXS INC, 2009, APEX2 SADABS SAINT
[3]   3-(4-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran [J].
Choi, Hong Dae ;
Seo, Pil Ja ;
Lee, Uk .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2012, 68 :O482-U1356
[4]   3-(4-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran [J].
Choi, Hong Dae ;
Seo, Pil Ja ;
Son, Byeng Wha ;
Lee, Uk .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :O472-U3475
[5]   WinGX and ORTEP for Windows: an update [J].
Farrugia, Louis J. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854
[6]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122