(4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione

The title compound, C15H12N4O2, contains two independent molecules in the asymmetric unit. These differ in terms of dihedral angles that the phenyl and 2-pyridyl rings subtend with the central five-membered ring; 15.2 (2) and 2.9 (2)°, respectively, in one molecule, 8.9 (2) and 5.1 (2)°for the secon...

Full description

Bibliographic Details
Main Authors: Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Ahmed Khodairy, Mustafa R. Albayati, Eman A. Ahmed
Format: Article
Language:English
Published: International Union of Crystallography 2016-06-01
Series:IUCrData
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314616009093
_version_ 1818313178484834304
author Shaaban K. Mohamed
Joel T. Mague
Mehmet Akkurt
Ahmed Khodairy
Mustafa R. Albayati
Eman A. Ahmed
author_facet Shaaban K. Mohamed
Joel T. Mague
Mehmet Akkurt
Ahmed Khodairy
Mustafa R. Albayati
Eman A. Ahmed
author_sort Shaaban K. Mohamed
collection DOAJ
description The title compound, C15H12N4O2, contains two independent molecules in the asymmetric unit. These differ in terms of dihedral angles that the phenyl and 2-pyridyl rings subtend with the central five-membered ring; 15.2 (2) and 2.9 (2)°, respectively, in one molecule, 8.9 (2) and 5.1 (2)°for the second. In the crystal, the independent molecules each self-associate to form layers through N—H...O and C—H...O hydrogen bonding. The layers associate through π–π interactions between the phenyl rings and isolated carbon–carbon double bonds [shortest midpoint–centroid distance = 3.347 (4) Å]. The crystal studied was refined as a two-component twin.
first_indexed 2024-12-13T08:29:37Z
format Article
id doaj.art-3defc377e69348ed8408dec63fd30963
institution Directory Open Access Journal
issn 2414-3146
language English
last_indexed 2024-12-13T08:29:37Z
publishDate 2016-06-01
publisher International Union of Crystallography
record_format Article
series IUCrData
spelling doaj.art-3defc377e69348ed8408dec63fd309632022-12-21T23:53:48ZengInternational Union of CrystallographyIUCrData2414-31462016-06-0116x16090910.1107/S2414314616009093tk4017(4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dioneShaaban K. Mohamed0Joel T. Mague1Mehmet Akkurt2Ahmed Khodairy3Mustafa R. Albayati4Eman A. Ahmed5Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England, and, Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, EgyptDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USADepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyChemistry Department, Faculty of Science, Sohagt University, Sohag, EgyptKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqThe title compound, C15H12N4O2, contains two independent molecules in the asymmetric unit. These differ in terms of dihedral angles that the phenyl and 2-pyridyl rings subtend with the central five-membered ring; 15.2 (2) and 2.9 (2)°, respectively, in one molecule, 8.9 (2) and 5.1 (2)°for the second. In the crystal, the independent molecules each self-associate to form layers through N—H...O and C—H...O hydrogen bonding. The layers associate through π–π interactions between the phenyl rings and isolated carbon–carbon double bonds [shortest midpoint–centroid distance = 3.347 (4) Å]. The crystal studied was refined as a two-component twin.http://scripts.iucr.org/cgi-bin/paper?S2414314616009093crystal structurepyrazoldiones1,2,4-triazolesbenzyidene-acetohydrazide
spellingShingle Shaaban K. Mohamed
Joel T. Mague
Mehmet Akkurt
Ahmed Khodairy
Mustafa R. Albayati
Eman A. Ahmed
(4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione
IUCrData
crystal structure
pyrazoldiones
1,2,4-triazoles
benzyidene-acetohydrazide
title (4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione
title_full (4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione
title_fullStr (4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione
title_full_unstemmed (4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione
title_short (4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione
title_sort 4e 1 phenyl 4 pyridin 2 yl amino methylidene pyrazolidine 3 5 dione
topic crystal structure
pyrazoldiones
1,2,4-triazoles
benzyidene-acetohydrazide
url http://scripts.iucr.org/cgi-bin/paper?S2414314616009093
work_keys_str_mv AT shaabankmohamed 4e1phenyl4pyridin2ylaminomethylidenepyrazolidine35dione
AT joeltmague 4e1phenyl4pyridin2ylaminomethylidenepyrazolidine35dione
AT mehmetakkurt 4e1phenyl4pyridin2ylaminomethylidenepyrazolidine35dione
AT ahmedkhodairy 4e1phenyl4pyridin2ylaminomethylidenepyrazolidine35dione
AT mustafaralbayati 4e1phenyl4pyridin2ylaminomethylidenepyrazolidine35dione
AT emanaahmed 4e1phenyl4pyridin2ylaminomethylidenepyrazolidine35dione