TY - JOUR
T1 - Novel and Disparate Hydrogen-Bonding Associations in 13-Amino-6-hydroxy-13-methyl-1,4,8,11-tetraazacyclotetradecane Tetrahydrochloride Monohydrate
AU - Harrowfield, J.M.
AU - Kim, Y.
AU - Lee, Y.H.
AU - Nealon, Gareth
AU - Skelton, Brian
AU - White, Allan
PY - 2005
Y1 - 2005
N2 - The title compound crystallizes in the monoclinic space group Pn with two independent [ LH4] Cl-4 . H2O formula units ( L = 13- amino- 6- hydroxy- 13- methyl- 1,4,8,11- tetraazacyclotetradecane) in the asymmetric unit. Despite pseudosymmetry, these two units exhibit subtle and interesting differences in their hydrogen- bonded association by the interchange of the water molecule site with one of the chloride anions. Although a pentamine, L crystallizes as a tetrahydrochloride in which the tetracation has a conformation similar to that of tetraprotonated cyclam ( 1,4,8,11-tetraazacyclotetradecane), despite a different pattern of protonation sites. Difficulties in purification are perpetuated in the crystal, the minor isomeric component co- crystallizing in one of the cation sites.
AB - The title compound crystallizes in the monoclinic space group Pn with two independent [ LH4] Cl-4 . H2O formula units ( L = 13- amino- 6- hydroxy- 13- methyl- 1,4,8,11- tetraazacyclotetradecane) in the asymmetric unit. Despite pseudosymmetry, these two units exhibit subtle and interesting differences in their hydrogen- bonded association by the interchange of the water molecule site with one of the chloride anions. Although a pentamine, L crystallizes as a tetrahydrochloride in which the tetracation has a conformation similar to that of tetraprotonated cyclam ( 1,4,8,11-tetraazacyclotetradecane), despite a different pattern of protonation sites. Difficulties in purification are perpetuated in the crystal, the minor isomeric component co- crystallizing in one of the cation sites.
U2 - 10.1071/CH04139
DO - 10.1071/CH04139
M3 - Article
VL - 58
SP - 60
EP - 62
JO - Australian Journal of Chemistry:an international journal for chemical science
JF - Australian Journal of Chemistry:an international journal for chemical science
SN - 0004-9425
IS - 1
ER -