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. 2011 Apr 1;67(Pt 4):o831.
doi: 10.1107/S1600536811008282. Epub 2011 Mar 9.

4-[(Dieth-oxy-phosphino-yl)meth-yl]benzoic acid

S Karthikeyan, K Sethusankar, Ganesan Gobi Rajeshwaran, Arasambattu K Mohanakrishnan

4-[(Dieth-oxy-phosphino-yl)meth-yl]benzoic acid

S Karthikeyan et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(12)H(17)N(2)O(5)P, the phospho-nate group is almost orthogonal to both the ethyl groups, with a dihedral angle of 83.75 (11)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of O-H⋯O hydrogen bonds with an R(2) (2)(20) graph-set motif. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with the atom numbering scheme, displacement ellipsoids are drawn at 30% probability level. H atoms are represented by small spheres of arbitary radius.
Fig. 2.
Fig. 2.
A stereo view of the unit cell of the title compound, showing the dimer formed by H-bonding in R22(20) graph set motif along a axis.
See this image and copyright information in PMC

References

    1. An, L.-T., Gong, G.-X., Liu, X., Xia, M. & Zhou, J.-F. (2008). Acta Cryst. E64, o1320. - PMC - PubMed
    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555–1573.
    1. Bruker (2008). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Chen, C., Jin, W. & Li, X. (2008). Acta Cryst. E64, o144. - PMC - PubMed
    1. Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.

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