首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >2-(1-{3-(dimethylazaniumyl)propylmethylamino}ethylidene)azaniumyl­nona­hydro-closo-deca­borate dimethyl sulfoxide disolvate
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2-(1-{3-(dimethylazaniumyl)propylmethylamino}ethylidene)azaniumyl­nona­hydro-closo-deca­borate dimethyl sulfoxide disolvate

机译:2-(1-(1-(3-(二甲基氮杂氮丙基)丙基甲基氨基}亚乙基)氮杂氮杂 ­壬基氢-叔癸硼酸酯二甲亚砜二溶剂化物

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摘要

The title compound, 2-B10H9NH=C(CH3)N(CH3)CH2CH2CH2N(CH3)2H·2C2H6OS or C8H29B10N3·2C2H6OS, is zwitterionic with the negative charge localized on the deca­borate cage and the positive charge on the terminal ammonium group. Two mol­ecules of dimethyl sulfoxide (DMSO) and one mol­ecule of the title compound constitute the asymmetric unit. One DMSO mol­ecule is disordered [ratio 0.739 (3):0.261 (3)]. The bonds and angles within the deca­borate cage are within the normal ranges. The amidine fragment of the ligand, which is expected to be planar, is significantly distorted from planarity as exemplified by four torsion angles [B—N—C—C = 8.4 (3), H—N—C—N = 5(2), N—C—N—C = 7.3 (3) and C—C—N—C = 14.8 (3)°] found within this portion of the mol­ecule. The crystal packing consists of head-to-tail-arranged dimers of the title mol­ecule held together by four mol­ecules of DMSO which are attached via strong N—H⋯O and weak C—H⋯O hydrogen bonds.
机译:标题化合物2-B10H9NH = C(CH3)N(CH3)CH2CH2CH2N(CH3)2H·2C2H6OS或C8H29B10N3·2C2H 6 为两性离子,其负电荷位于去壳笼中,并且末端铵基上带正电荷。两分子的二甲基亚砜(DMSO)和一分子的标题化合物构成不对称单元。一种DMSO分子是无序的[比率0.739(3):0.261(3)]。十硼酸盐笼内的键和角度在正常范围内。预期是平面的配体的fragment片段会从平面度显着扭曲,例如四个扭转角[B–N–CC = 8.4°(3),H–N–C = 5(2 ),在该部分分子中发现的NCC = 7.3(3)和NCC = 14.8(3)°]。晶体堆积物由标题分子的头到尾排列的二聚体组成,该二聚体通过四个DMSO分子保持在一起,这些DMSO通过强N-H = O和弱C-H = O氢键连接。

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