Crystal Structure
of Sodium Hydrogen (E-2-phenylethynylphosphonate)

A. N. Chekhlov

Institute of Problems of Chemical Physics, Russian Academy of Sciences,
Institutski pr. 18, Chernogolovka, Moscow oblast, 142432 Russia

Received December 27, 2002

Abstract—The crystals of the “acid” sodium salt of E-2-phenylethynylphosphonic acid, NaHOP(O₂)CH=CHPh
(I), were obtained and studied by X-ray diffraction. The triclinic structure of I (space group P , a = 5.987 Å,
b = 7.747 Å, c = 19.216 Å, = 87.56°, = 85.07°, = 89.95°, Z = 4) was solved by direct methods and refined
by full-matrix least-squares calculations in the anisotropic approximation to R = 0.063 for 3737 independent
measured reflections (CAD4 automated diffractometer, CuK). The structure of I contains two crystallograph-
ically independent Na⁺ cations and phosphonate anions related by a glide-reflection plane, hence, having sim-
ilar bond lengths and angles. The coordination polyhedra of two Na⁺ cations (CN = 5) are distorted tetragonal
pyramids composed of the O atoms of two phosphonate anions. The crystal structure of I is composed of sheets
consisting of the Na⁺ polyhedra, HOP groups, and –CH=CHPh fragments of all the phosphonate anions.

Pleiades Publishing home page | journal home page | top

If you have any problems with this server, contact webmaster.