Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2009 Jul 15;65(Pt 8):m917-8.
doi: 10.1107/S1600536809026385.

catena-Poly[[(ethanol-κO)[3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid-κO]lithium]-μ-3-(1-phenyl-1H-pyrazol-3-yl)benzoato-κO:O']

Hoong-Kun Fun, Kasthuri Balasubramani, Sankappa Rai, Prakash Shetty, Arun M Isloor

catena-Poly[[(ethanol-κO)[3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid-κO]lithium]-μ-3-(1-phenyl-1H-pyrazol-3-yl)benzoato-κO:O']

Hoong-Kun Fun et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The asymmetric unit of the title polymeric compound, [Li(2)(C(16)H(11)N(2)O(2))(2)(C(16)H(12)N(2)O(2))(2)(CH(3)CH(2)OH)(2)](n), contains two Li(I) ions, two 3-(1-phenyl-1H-pyrazol-3-yl)benzoate ions, two 3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid mol-ecules and two ethanol mol-ecules. In the crystal structure, each of the two Li(I) ions has a distorted tetra-hedral geometry, coordinated by two carboxyl-ate O atoms, one carboxyl O atom and one ethanol O atom. The carboxyl-ate group bridges the Li(I) ions, forming a one-dimensional polymeric chain along [100]. The crystal structure is further stabilized by O-H⋯O and C-H⋯N hydrogen bonding, and π-π inter-actions with centroid-centroid distances in the range 3.6534 (13)-3.8374 (13) Å.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure of (I), showing 30% probability displacement ellipsoids and the atom numbering scheme.
Fig. 2.
Fig. 2.
The polymeric network of (I) along the [100] direction. Dashed lines indicate the hydrogen bonding.
See this image and copyright information in PMC

References

    1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1–19.
    1. Bruker (2005). APEX2, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst.19, 105–107.
    1. Di Marzo, V., Bifulco, M. & De Petrocellis, L. (2004). Nat. Rev. Drug Discov.3, 771–784. - PubMed
    1. Fischer, A. (2005). Acta Cryst. E61, m320–m322.