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

The title compound, C15H14N4O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings...

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Main Authors:	Joel T. Mague, Shaaban K. Mohamed, Mehmet Akkurt, Talaat I. El-Emary, Mustafa R. Albayati
Format:	Article
Language:	English
Published:	International Union of Crystallography 2014-11-01
Series:	Acta Crystallographica Section E
Subjects:	crystal structure pyrrole ring hydrogen bonding hydroxylamine
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S1600536814023514

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spelling	doaj-d4a6ff31535d41f8abc941a3bf3a597b2020-11-25T02:19:12ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-11-017011o1216o121710.1107/S1600536814023514hb7307Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamineJoel T. Mague0Shaaban K. Mohamed1Mehmet Akkurt2Talaat I. El-Emary3Mustafa R. Albayati4Department of Chemistry, Tulane University, New Orleans, LA 70118, USAChemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyDepartment of Chemistry, Faculty of Science, Assiut University, 71515 Assiut, EgyptKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqThe title compound, C15H14N4O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, 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 molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H...N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536814023514crystal structurepyrrole ringhydrogen bondinghydroxylamine
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Talaat I. El-Emary Mustafa R. Albayati
spellingShingle	Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Talaat I. El-Emary Mustafa R. Albayati Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine Acta Crystallographica Section E crystal structure pyrrole ring hydrogen bonding hydroxylamine
author_facet	Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Talaat I. El-Emary Mustafa R. Albayati
author_sort	Joel T. Mague
title	Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
title_short	Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
title_full	Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
title_fullStr	Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
title_full_unstemmed	Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine
title_sort	crystal structure of (e)-n-{[3-methyl-1-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]methylidene}hydroxylamine
publisher	International Union of Crystallography
series	Acta Crystallographica Section E
issn	1600-5368
publishDate	2014-11-01
description	The title compound, C15H14N4O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, 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 molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H...N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H...π interactions.
topic	crystal structure pyrrole ring hydrogen bonding hydroxylamine
url	http://scripts.iucr.org/cgi-bin/paper?S1600536814023514
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Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine

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