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. 2010 Aug 11;66(Pt 9):o2228.
doi: 10.1107/S1600536810030643.

Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxyl-ate

Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxyl-ate

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

Abstract

In the title compound, C(16)H(20)N(2)O(2), the pyrazole ring is essentially planar [maximum deviation = 0.008 (2) Å] and is inclined at an angle of 82.82 (10)° with respect to the phenyl ring. The crystal packing is consolidated by pairs of inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers stacked along the a axis.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing 50% probability displacement ellipsoids for non-H atoms and the atom-numbering scheme.
Fig. 2.
Fig. 2.
The crystal structure of the title compound, viewed along the a axis. H atoms not involved in hydrogen bonds (dashed lines) have been omitted for clarity.

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 (2009). APEX2, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst.19, 105–107.
    1. Fun, H.-K., Goh, J. H., Chandrakantha, B., Isloor, A. M. & Shetty, P. (2010a). Acta Cryst. E66, o1828–o1829. - PMC - PubMed
    1. Fun, H.-K., Quah, C. K., Chandrakantha, B., Isloor, A. M. & Shetty, P. (2010b). Acta Cryst. E66, o2282-o2283. - PMC - PubMed