Bello Mollie J, Brady Sarah E, Zakharov Lev N, Tyler David R
Department of Chemistry, 1253 University of Oregon, Eugene, Oregon 97403-1253, USA.
CAMCOR, University of Oregon, 1443 E. 13th Avenue, Eugene, Oregon 97403, USA.
Acta Crystallogr Sect E Struct Rep Online. 2013 Dec 4;70(Pt 1):o5. doi: 10.1107/S1600536813031607. eCollection 2014 Jan 1.
In the title quaternary ammonium salt, C55H61N4 (+)·I(-), all three N,N-di-benzyl-ethanamine, -(CH2)2N(CH2C6H5)2, groups have different conformations. The N-C-C-N torsion angles are significantly different [89.86 (13), 162.61 (10) and 175.70 (10)°] and the dihedral angles between the phenyl rings in these groups are different as well [58.21 (4), 43.73 (4) and 76.72 (5)°]. In the crystal, the I(-) anions fill empty spaces between the bulky cations. The cations and anions are linked by weak C-H⋯I inter-actions, forming a chain along [110].
在标题季铵盐C55H61N4(+)·I(-)中，所有三个N,N-二苄基乙胺基-(CH2)2N(CH2C6H5)2具有不同的构象。N-C-C-N扭转角显著不同[89.86 (13)、162.61 (10)和175.70 (10)°]，这些基团中苯环之间的二面角也不同[58.21 (4)、43.73 (4)和76.72 (5)°]。在晶体中，I(-)阴离子填充在庞大阳离子之间的空隙中。阳离子和阴离子通过弱C-H⋯I相互作用相连，沿[110]形成一条链。
