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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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