Crystal structure of 2-(3-bromophenyl)-1,3-dithiane

被引:2
作者
Zukerman-Schpector, Julio [1 ]
Caracelli, Ignez [2 ]
Stefani, Helio A. [3 ]
Gozhina, Olga [3 ]
Tiekink, Edward R. T. [4 ]
机构
[1] Univ Fed Sao Carlos, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil
[2] Univ Fed Sao Carlos, Dept Fis, BR-13565905 Sao Carlos, SP, Brazil
[3] Univ Sao Paulo, Dept Farm, Fac Ciencias Farmaceut, BR-05508900 Sao Paulo, SP, Brazil
[4] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷
基金
巴西圣保罗研究基金会;
关键词
crystal structure; 1,3-dithiane; conformation; C-H center dot center dot center dot pi interactions; pi-pi interactions;
D O I
10.1107/S2056989015002832
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C10H11BrS2, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)degrees with the least-squares plane through the 1,3-dithiane ring. Thus, to a first approximation the molecule has mirror symmetry with the mirror containing the bromobenzene ring and the 1,4-disposed C atoms of the 1,3-dithiane ring. In the crystal, molecules associate via weak methylenebromobenzene C-H center dot center dot center dot pi and pi-pi [Cg center dot center dot center dot Cg = 3.7770 (14) angstrom for centrosymmetrically related bromobenzene rings] interactions, forming supramolecular layers parallel to [10 (1) over bar]; these stack with no specific intermolecular interactions between them.
引用
收藏
页码:O179 / +
页数:8
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