Crystal structure of 2-chloro-1,3-(2,6-diiso-propyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium tetra-kis-(3,5-tri-fluoro-methyl-phen-yl)borate

Stack D.L.; Masuda J.D.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 2-chloro-1,3-(2,6-diiso-propyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium tetra-kis-(3,5-tri-fluoro-methyl-phen-yl)borate

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Crystal structure of 2-chloro-1,3-(2,6-diiso-propyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium tetra-kis-(3,5-tri-fluoro-methyl-phen-yl)borate

机译：2-氯-1,3-（2,6-二异丙基-苯基-苯基）-4,5-二氢-1H-咪唑-3-基四-（3,5-三氟）的晶体结构-甲基-苯基-苯基）硼酸酯

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The title compound, C27H38ClN2+·C32H12BF24?, was synthesized by reacting the product formed from a previous reaction between 1,3-bis-(2,6-diiso-propyl-phen-yl)imidazolinium-2-carboxyl-ate (SIPrCO2), and SOCl2, with sodium tetra-kis-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]borate (NaBARF). In the cation, the imidazole ring is in a half-chair conformation and the formerly carbene carbon atom is bonded in a distorted trigonal–planar geometry with N—C—Cl angles of 122.96?(16) and 122.21?(16)° and an N—C—N angle of 114.83?(18)°. In the crystal, weak C—H?F hydrogen bonds link the cations and anions, forming a three-dimensional network. In addition, a short Cl?F contact of 3.213?? and several short F?F contacts less than the sum of the van der Waals radii [1.47?? + 1.47?? = 2.94??] are observed. The F atoms of two of the CF3 groups were refined as disordered over four sets of sites.

机译：通过使由先前反应形成的1,3-双-（2,6-二异丙基-苯基-苯基）咪唑啉-2-羧酸酯（SIPrCO2）反应生成的产物合成标题化合物C27H38ClN2 +·C32H12BF24 ，以及四氯化三[3,5-双-（三氟甲基）苯基）基硼酸钠（NaBARF）。在阳离子中，咪唑环为半椅构型，以前的卡宾碳原子以扭曲的三角平面几何结构键合，NC角为122.96？（16）和122.21？（16）°， NC角为114.83°（18）°。在晶体中，较弱的CHF氢键将阳离子和阴离子连接起来，形成三维网络。另外，一个短的Cl13F触点为3.213Ω。并且几个短F？F触点小于范德华半径[1.47？ + 1.47 ?? ＝ 2.94 ??]。两个CF3基团中的F原子在四组位点上被无序化。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第10期|共4页
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Stack D.L.; Masuda J.D.;
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1. Crystal structure of 2-chloro-1,3-(2,6-diiso-propyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium tetra-kis-(3,5-tri-fluoro-methyl-phen-yl)borate [J] . Stack D.L., Masuda J.D. Acta Crystallographica Section E: Crystallographic Communications . 2016,第10期

机译：2-氯-1,3-（2,6-二异丙基-苯基-苯基）-4,5-二氢-1H-咪唑-3-基四-（3,5-三氟）的晶体结构-甲基-苯基-苯基）硼酸酯
2. Crystal structure of 2-chloro-1,3-bis-(2,6-diiso-propyl-phen-yl)-1,3,2-di-aza-phospho-lidine 2-oxide [J] . Veinot A.J., Hendsbee A.D., Masuda J.D. Acta Crystallographica Section E: Crystallographic Communications . 2017,第5期

机译：2-氯-1,3-双-（2,6-二异丙基-苯基-基）-1,3,2-二氮杂-磷酸-吡啶-2-氧化物的晶体结构
3. Crystal structure of 2-chloro-1,3-bis-(2,6-diiso-propyl-phen-yl)-1,3,2-di-aza-phospho-lidine 2-oxide [J] . Veinot A.J., Hendsbee A.D., Masuda J.D. Acta Crystallographica Section E: Crystallographic Communications . 2017,第5期

机译：2-氯-1,3-双-（2,6-二异丙基-苯基-基）-1,3,2-二氮杂-磷酸-吡啶-2-氧化物的晶体结构
4. Structures of Borate Crystals Without Center of Inversion [C] . Anton S. Korotkov International Conference and Seminar on Micro/Nanotechnologies and Electron Devices . 2010

机译：无逆转中心的硼酸晶体结构
5. Hydrothermal chemistry, crystal structures, and spectroscopy of novel fluorides and borates. [D] . Underwood, Christopher Cole. 2013

机译：新型氟化物和硼酸盐的水热化学，晶体结构和光谱。
6. Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-NNN′N′-tetramethyl-N′′-3-(133-trimethylureido)propylguanidinium tetraphenylborate [O] . Ioannis Tiritiris, Willi Kantlehner 2015

机译：N-（2-乙氧基-2-氧代乙基）-NNNN-四甲基-N-3-（133-三甲基脲基）丙酰基胍基四苯基苯基硼酸酯的晶体结构
7. Crystal structure of 2-chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate [O] . Darcie L. Stack, Jason D. Masuda 2016

机译：2-氯-1,3-（2,6-二异丙基苯基）-4,5-二氢-1H-咪唑-3-鎓四（3,5-三氟甲基苯基）硼酸盐的晶体结构
8. Boranametallacarboranes. 2. Crystal and Molecular Structures of (2, 3-(C2H5)2C2B4H4)-5-Co(B9H12-1-O(CH2)4), (2,3-(CH3)2C2B3H5)-5-Co(B9H12-1-O(CH2)4), and (1,2-(C2H5)2C2B7H7)-6-Co(B9H12-2-O(CH2)4) [R] . Borodinsky, L., Sinn, E., Grimes, R. N. 1981

机译：Boranametallacarboranes。 2.（2,3-（C2H5）2C2B4H4）-5-Co（B9H12-1-O（CH2）4），（2,3-（CH3）2C2B3H5）-5-Co（B9H12-）的晶体和分子结构1-O（CH2）4）和（1,2-（C2H5）2C2B7H7）-6-Co（B9H12-2-O（CH2）4）

Crystal structure of 2-chloro-1,3-(2,6-diiso-propyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium tetra-kis-(3,5-tri-fluoro-methyl-phen-yl)borate

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