Página Inicial CNEA Laboratorio TANDAR Página Inicial TANDAR Historia del acelerador TANDAR Web interno Web mail
Inicio » Actividades I+D > Publicaciones 2003 > Head-to-head dimers in the zwitterion of...
artículo con referato
"Head-to-head dimers in the zwitterion of 1-hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate (PHPBP)"
D. Fernández and D. Vega
Acta Cryst. C 59(12) (2003) o661-o663
The title compound, C8H19NO7P2, is a member of the bisphosphonate family of therapeutic compounds. PHPBP has inner-salt character, consisting of a negatively charged PO3 group and a positively charged N atom. The six-membered piperidine ring adopts an almost-perfect chair conformation. The hydroxyl group and the N atom have gauche and trans conformations in relation to the O-C-C-C-N backbone, respectively. Hydrogen bonding is the main contributor to the packing in the crystal, which consists of head-to-head dimers formed through phosphonyl-phosphonyl hydrogen bonds, while O–HO and N–HO interactions join the dimers into a plane parallel to crystallographic b and c axes.
Av. Gral Paz y Constituyentes, San Martín, Pcia. de Buenos Aires, Argentina
Tel: (54-11) 6772-7007 - Fax: (54-11) 6772-7121