Crystal structures of two bis­(iodo­meth­yl)benzene derivatives: similarities and differences in the crystal packing

Acta Crystallographica Section E: Crystallographic Communications

Moratti, S.C.¹  Simpson, J.¹  McAdam, C.J.¹  Hanton, L.R.¹ 

[1] Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand

关键词: CRYSTAL STRUCTURE;    BIS(IODOMETHYL)BENZENE DERIVATIVES;    C-H...I HYDROGEN BONDS;    C-H...[PI](RING) CONTACTS;    [PI]-[PI] CONTACTS;    I...I HALOGEN BONDS;   

DOI  :  10.1107/S2056989015021295

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The isomeric derivatives 1,2-bis­(iodo­meth­yl)benzene, (I), and 1,3-bis­(iodo­meth­yl)benzene (II), both C8H8I2, were prepared by metathesis from their di­bromo analogues. The ortho-derivative, (I), lies about a crystallographic twofold axis that bis­ects the C—C bond between the two iodo­methyl substituents. The packing in (I) relies solely on C—H⋯I hydrogen bonds supported by weak parallel slipped π–π stacking inter­actions [inter-centroid distance = 4.0569 (11) Å, inter-planar distance = 3.3789 (8) Å and slippage = 2.245 Å]. While C—H⋯I hydrogen bonds are also found in the packing of (II), type II, I⋯I halogen bonds [I⋯I = 3.8662 (2) Å] and C—H⋯π contacts feature prominently in stabilizing the three-dimensional structure.

【 授权许可】

CC BY