Title of article :
Crystal structure and halogen–hydrogen bonding of a Delépine reaction inter­mediate
Author/Authors :
Mulrooney, David Z. T. School of Chemistry - University College Dublin, Ireland , Müller-Bunz, Helge School of Chemistry - University College Dublin, Ireland
Pages :
9
From page :
1
To page :
9
Abstract :
The reaction of 1,5-di­bromo­pentane with urotropine results in crystals of the title mol­ecular salt, 5-bromo­urotropinium bromide [systematic name: 1-(5-bro­mo­pent­yl)-3,5,7-tri­aza-1-azoniatri­cyclo­[3.3.1.13,7]decane bromide], C11H22BrN4+·Br− (1), crystallizing in space group P21/n. The packing in compound 1 is directed mainly by H⋯H van der Waals inter­actions and C—H⋯Br hydrogen bonds, as revealed by Hirshfeld surface analysis. Comparison with literature examples of alkyl­urotropinium halides shows that the inter­actions in 1 are consistent with those in other bromides and simple chloride and iodide species
Keywords :
crystal structure , urotropinium , Delépine reaction , Hirshfeld surface
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2021
Full Text URL :
Record number :
2622431
Link To Document :
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