Zwitterionic (pyrrolidine-2,2-diyl)bisphosphonic acid at 100, 150 and 293K

Gilles Olive (1) , Diane D. Ellis (2) , Didier Siri (1) , François Le Moigne (1) , Martin Lutz (2) , Anthony L. Spek (2) , Paul Tordo (1) , Jean-Pierre Reboul (3)

1 CBRL - Chimie, biologie et radicaux libres - UMR 6517
2 Laboratory of Crystal and Structural Chemistry
3 Groupe d'Enseignement et de Recherche en Chimie Thérapeutique, Organique et Physique

The title compound, C4H11NO6P2, reveals a two-dimensional network of PÐOÐH_ _ _O P and NÐH_ _ _O P hydrogenbond interactions, forming molecular slabs parallel with the (010) plane. One OÐH_ _ _O interaction is distinct within these sets: whilst forming the shortest intermolecular hydrogen bond, it possesses a short PÐO(H) bond of 1.5291 (10) A Ê . Weak CÐH_ _ _O contacts link individual stacks to produce a three-dimensional array. The compound is zwitterionic: one H atom from a PÐOÐH group has transferred to the pyrrolidine ring N atom.

Domaines: Cristallographie

Gilles Olive, Diane D. Ellis, Didier Siri, François Le Moigne, Martin Lutz, et al.. Zwitterionic (pyrrolidine-2,2-diyl)bisphosphonic acid at 100, 150 and 293K. Acta Crystallographica Section C : Crystal Structure Communications [1968-2013], 2000, C56 (6), pp.720-722. ⟨hal-00662589⟩