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; Shaaban K Mohamed; Mehmet Akkurt; Talaat I El-Emary; Mustafa R Albayati

doi:10.1107/S1600536814023514

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

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 31;70(Pt 11):o1216-7. doi: 10.1107/S1600536814023514. eCollection 2014 Nov 1.

Authors

Joel T Mague¹, Shaaban K Mohamed², Mehmet Akkurt³, Talaat I El-Emary⁴, Mustafa R Albayati⁵

Affiliations

¹ Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
² Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
³ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
⁴ Department of Chemistry, Faculty of Science, Assiut University, 71515 Assiut, Egypt.
⁵ Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.

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.