Huang Chao, Wang Ruyu, Shu Xi, Fan Yu, Qi Yue, Li Shoujian, Xia Chuanqin
College of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2017 Aug 8;73(Pt 9):1316-1319. doi: 10.1107/S2056989017009951. eCollection 2017 Sep 1.
The title compounds, tetra-butyl-ammonium chloride-1,1'-(1,2-phenyl-ene)bis-(3--tolyl-urea) (1/1), CHN·Cl·CHNO or [(-BuN·Cl)(CHNO)] (I) and tetra-butyl-ammonium bromide-1,1'-(1,2-phenyl-ene)bis-(3--tolyl-urea) (1/1), CHN·Br·CHNO or [(n-BuN·Br)(CHNO)] (II), both comprise a tetra-butyl-ammonium cation, a halide anion and an -phenyl-ene bis-urea mol-ecule. Each halide ion shows four N-H⋯ ( = Cl or Br) inter-actions with two urea receptor sites of different bis-urea moieties. A crystallographic inversion centre leads to the formation of a 2:2 arrangement of two halide anions and two bis-urea mol-ecules. In the crystals, the dihedral angle between the two urea groups of the bis-urea mol-ecule in (I) [defined by the four N atoms, 165.4 (2)°] is slightly smaller than that in (II) [167.4 (2)°], which is probably due to the smaller ionic radius of chloride compared to bromide.
标题化合物，四丁基氯化铵 - 1,1'-（1,2 - 亚苯基）双 -（3 - 甲苯基脲）（1/1），CHN·Cl·CHNO 或 [(-BuN·Cl)(CHNO)]（I）以及四丁基溴化铵 - 1,1'-（1,2 - 亚苯基）双 -（3 - 甲苯基脲）（1/1），CHN·Br·CHNO 或 [(n - BuN·Br)(CHNO)]（II），均包含一个四丁基铵阳离子、一个卤化物阴离子和一个 - 亚苯基双脲分子。每个卤离子与不同双脲部分的两个脲受体位点呈现四个 N - H⋯（ = Cl 或 Br）相互作用。一个晶体学反演中心导致形成两个卤化物阴离子和两个双脲分子的 2:2 排列。在晶体中，（I）中双脲分子的两个脲基团之间的二面角[由四个 N 原子定义，165.4 (2)°]略小于（II）中的[167.4 (2)°]，这可能是由于氯离子的离子半径比溴离子小。
