Crystal structure of N-butyl-2,3-bis(dicyclohexyl-amino)cyclopropeniminium chloride benzene monosolvate

被引：0
|
作者：
Sanchez, Gaby M. Munoz [1 ]
Zdilla, Michael J. [1 ]
机构：
[1] Temple Univ, Dept Chem, 1901 N 13th St, Philadelphia, PA 19122 USA
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2022年 / 78卷
基金：
美国国家科学基金会; 美国国家卫生研究院;
关键词：
crystal structure; cyclopropene; superbases; aromaticity;
D O I：
10.1107/S2056989022008076
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
N-Butyl-2,3-bis(dicyclohexylamino)cyclopropenimine (1) crystallizes from benzene and hexanes in the presence of HCl as a monobenzene solvate of the hydrochloride salt, [1H]Cl center dot C6H6 or C31H54N3+center dot Cl-center dot C6H6, in the P21/n space group. The protonation of 1 results in the generation of an aromatic structure based upon the delocalization of the cyclopropene double bond around the cyclopropene ring, giving three intermediate C-C bond lengths of similar to 1.41 angstrom, and the delocalization of the imine-type C-N double bond, giving three intermediate C-N bond lengths of similar to 1.32 angstrom. Ion-ion and ion-benzene packing interactions are described and illustrated.
引用
收藏
页码：936 / +
页数：15
相关论文
共 50 条
  • [1] Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-yl)benzene
    Diesendruck, Charles E.
    Rubin, Gabrielle
    Bertke, Jeffery A.
    Gray, Danielle L.
    Moore, Jeffrey S.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : 1429 - +
  • [2] Synthesis of 2,3-bis[allylsulfanyl(amino)methylidene]succinonitrile and its molecular and crystal structure
    V. D. Dyachenko
    A. N. Chernega
    Russian Journal of Organic Chemistry, 2006, 42 : 945 - 948
  • [3] Synthesis of 2,3-bis[allylsulfanyl(amino)methylidene]succinonitrile and its molecular and crystal structure
    Dyachenko, V. D.
    Chernega, A. N.
    RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2006, 42 (07) : 945 - 948
  • [4] Crystal structure of 2,3-bis[(4-tert-butyl-2,6-dimethylphenyl)imino]butane
    Zhao, Sheng-Lan
    Yuan, Jian-Chao
    Zhao, Yan
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O258 - U388
  • [5] Crystal structure of bis[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I) chloride tetrahydrofuran monosolvate
    Saenger, Inge
    Lerner, Hans-Wolfram
    Bolte, Michael
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : 544 - +
  • [6] N,N′-Bis(pyridin-4-ylmethyl)oxalamide benzene monosolvate: crystal structure, Hirshfeld surface analysis and computational study
    Tan, Sang Loon
    Halcovitch, Nathan R.
    Tiekink, Edward R. T.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1133 - +
  • [7] Crystal structure of trans-N,N '-bis(3,5-di-tert-butyl-2-hydroxyphenyl)oxamide methanol monosolvate
    Velazquez-Carmona, Miguel-Angel
    Bernes, Sylvain
    Javier Rios-Merino, Francisco
    Reyes Ortega, Yasmi
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2016, 72 : 918 - +
  • [8] Synthesis, structure, and magnetic properties of a cyclic dimer of bis(hexafluoroacetylacetonato)-{1,3-bis(N-tert-butyl-N-oxylamino)-5-tert-butyl-benzene}manganese(II)
    Gorlitz, G
    Hayamizu, T
    Itoh, T
    Matsuda, K
    Iwamura, H
    INORGANIC CHEMISTRY, 1998, 37 (08) : 2083 - +
  • [9] Crystal structure of bis(1,3-bis{[(1H-pyrrol-2-yl)methylidene]amino-kappa N} propan-2-olato-kappa O)manganese(III) nitrate methanol monosolvate
    Ahn, Seoung Hyun
    Shin, Jong Won
    Moon, Dohyun
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : 210 - +
  • [10] Crystal structure of bis{2,4-di-tert-butyl-6-[(isopropylimino)methyl]phenolato-kappa N-2,O}zinc dichloromethane monosolvate
    Hao, Yuan-Zeng
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : M390 - +
12345