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
. 2010 Jun 18;66(Pt 7):o1697-8.
doi: 10.1107/S1600536810022828.

4-Methyl-5-phenyl-1H-pyrazol-3-ol

4-Methyl-5-phenyl-1H-pyrazol-3-ol

Tara Shahani et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C(10)H(10)N(2)O, crystallizes with two independent mol-ecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two mol-ecules are 39.57 (14) and 41.95 (13)°. The two mol-ecules are each connected to neighbouring mol-ecules by pairs of inter-molecular O-H⋯N hydrogen bonds, forming dimers with R(2) (2)(8) ring motifs. These dimers are further linked into R(4) (4)(10) ring motifs by inter-molecular N-H⋯O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C-H⋯π inter-action.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing 20% probability displacement ellipsoids and the atom numbering scheme.
Fig. 2.
Fig. 2.
The crystal packing of the title compound, viewed approximately along the b axis, showing a one-dimensional chain.

Similar articles

Cited by

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. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl.34, 1555–1573.
    1. Brogden, R. N. (1986). Pyrazolone Derivatives Drugs, 32, 60–70. - PubMed
    1. Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wiscosin, USA.
    1. Cosier, J. & Glazer, A. M. (1986). J. Appl. Cryst.19, 105–107.