Abstract
Individual ions and the solvating water mol-ecule constituting the structure of the title compound, [Fe(C8H13N)(C17H14P)]Cl·H2O, assemble into dimeric units located around crystallographic inversion centers via N-H⋯Cl and O-H⋯Cl hydrogen bonds. These discrete fragments are further inter-connected into chains by C-H⋯O inter-actions. The disubstituted ferrocene core in the {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium cation has an approximate synclinal eclipsed conformation and is tilted by 3.40 (11)°.
Highlights
Individual ions and the solvating water molecule constituting the structure of the title compound, [Fe(C8H13N)(C17H14P)]ClH2O, assemble into dimeric units located around crystallographic inversion centers via N—H Cl and O—
While studying functional derivatives of the ubiquitous 1,10 -bis(diphenylphosphino)ferrocene, we have devised an alternative synthesis of 10 -(diphenylphosphino)-1-[(dimethylamino)methyl]ferrocene, Ph2PfcCH2NMe2, firstly reported by Wright (1990), and studied this compound as a ligand in PdII and AuI complexes (Štěpnička et al, 2012)
We have converted this phosphinoamine into a phosphinoferrocene betaine
Summary
Chiral phosphinoferrocene amines are recognized to be efficient supporting ligands for transition-metal-catalysed reactions as well as useful synthetic precursors for a range of ferrocene derivatives (Štěpnička et al, 2008). Their non-chiral counterparts have received limited attention. Ph2PfcCH2NMe2(CH2)3SO3, which was in turn used to prepare new functional ferrocene phosphines (Zábranský et al, 2015, 2017). This contribution describes the crystal structure of a hydrated hydrochloride of this amine,. [Ph2PfcCH2NHMe2]ClH2O, which was isolated serendipitously while regenerating the amine after preparation of the aforementioned betaine
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