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. 2014 Oct 31;70(Pt 11):o1216-7.
doi: 10.1107/S1600536814023514. eCollection 2014 Nov 1.

Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl-idene}hydroxyl-amine

Joel T Mague  1 , Shaaban K Mohamed  2 , Mehmet Akkurt  3 , Talaat I El-Emary  4 , Mustafa R Albayati  5
Affiliations

Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl-idene}hydroxyl-amine

Joel T Mague et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C15H14N4O, crystallizes with two mol-ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first mol-ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second mol-ecule. In the crystal, the two mol-ecules, together with their inversion-symmetry counterparts, are linked into tetra-mers by O-H⋯N hydrogen bonds. The tetra-mers form layers parallel to (211) through pairwise C-H⋯π inter-actions.

Keywords: crystal structure; hydrogen bonding; hydroxyl­amine; pyrrole ring.

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Figures

Fig. 1.
Fig. 1.
The asymmetric unit of the title compound with 50% probability ellipsoids.
Fig. 2.
Fig. 2.
Packing of three H-bonded tetramers viewed down the a axis. O—H···N hydrogen bonds are shown by dotted lines.
Fig. 3.
Fig. 3.
Elevation view of the layers of H-bonded tetramers.
See this image and copyright information in PMC

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References

    1. Aly, M. F., El-Nagger, G. M., El-Emary, T. I., Grigg, R., Metwally, S. A. & Sivagnanam, S. (1994). Tetrahedron, 50, 895–906.
    1. Bazgir, A., Khanaposhtani, M. & Soorki, A. A. (2008). Bioorg. Med. Chem. Lett. 18, 5800–5803. - PubMed
    1. Brandenburg, K. & Putz, H. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
    1. Bruker (2014). APEX2, SAINT and SADABS. Bruker AXS, Inc., Madison, Wisconsin, USA.
    1. Dias, L. R. S., Alvim, M. J., Freitas, A. C. C., Barreiro, E. J. & Miranda, A. L. P. (1994). Pharm. Acta Helv. 69, 163–169. - PubMed