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Benzyl-tris-[2-(di-benzyl-amino)-eth-yl]ammonium iodide.

ABSTRACT: 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].

SUBMITTER: Bello MJ

PROVIDER: S-EPMC3914047 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

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Benzyl-tris-[2-(di-benzyl-amino)-eth-yl]ammonium iodide.

Bello Mollie J MJ Brady Sarah E SE Zakharov Lev N LN Tyler David R DR

Acta crystallographica. Section E, Structure reports online 20131204 Pt 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 ...[more]

PMID: 24526992

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