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. 2010 Jul 31;66(Pt 8):o2146-7.
doi: 10.1107/S1600536810029703.

Triethyl-ammonium O-3β-cholest-5-en-3-yl (4-meth-oxy-phen-yl)dithio-phospho-nate

Hendriette Van Der Walt, Alfred Muller, Werner E van Zyl

Triethyl-ammonium O-3β-cholest-5-en-3-yl (4-meth-oxy-phen-yl)dithio-phospho-nate

Hendriette Van Der Walt et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the crystal structure of the title compound, C(6)H(16)N(+)·C(34)H(52)O(2)PS(2) (-) or [(CH(3)CH(2))(3)NH](+)·[C(34)H(52)O(2)PS(2)](-), the cation and anion are paired via weak, inter-molecular, bifurcated N-H⋯(S,S) hydrogen bonds. The cholesteryl units form an alternating (herringbone) motif as well as an infinitely stacked layered structure along the b axis. The P-S bond lengths [1.975 (2) and 1.981 (2) Å compared with ca 1.92 Å for a formal P=S double bond and with ca 2.01 Å for a P-S single bond] suggest delocalization of the negative charge between the P-S bonds. A distorted tetra-hedral geometry around the P atom is revealed by non-ideal O-P-C and S-P-S bond angles of 96.7 (2) and 115.52 (11)°, respectively.

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Figures

Fig. 1.
Fig. 1.
View of (I) showing the atomic numbering and 30% probability displacement ellipsoids. Hydrogen atoms omitted for clarity.
Fig. 2.
Fig. 2.
Packing diagram of (I) viewed along the a axis illustrating the herring-bone motif.
Fig. 3.
Fig. 3.
Superimposed (I) with the cholesterylphosphate structures available from the literature.
See this image and copyright information in PMC

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