Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

The title compound, C12H9N3O2, was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazo...

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Main Authors:	Santosh Paswan, Manoj K. Bharty, Sanyucta Kumari, Sushil K. Gupta, Nand K. Singh
Format:	Article
Language:	English
Published:	International Union of Crystallography 2015-11-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure cyclized oxadiazole derivative hydrogen bonding C—H...π interactions π–π interactions
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989015019453

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spelling	doaj-2e0382ed7d0a4332b76e85db929ac27d2020-11-25T00:22:33ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-11-017111o880o88110.1107/S2056989015019453hb7522Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amineSantosh Paswan0Manoj K. Bharty1Sanyucta Kumari2Sushil K. Gupta3Nand K. Singh4Department of Chemistry, Banaras Hindu University, Varanasi 221 005, IndiaDepartment of Chemistry, Banaras Hindu University, Varanasi 221 005, IndiaDepartment of Chemistry, Banaras Hindu University, Varanasi 221 005, IndiaSchool of Studies in Chemistry, Jiwaji University, Gwalior 474 011, IndiaDepartment of Chemistry, Banaras Hindu University, Varanasi 221 005, IndiaThe title compound, C12H9N3O2, was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H...O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generate R22[8] loops. The dimers are linked by C—H...π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2056989015019453crystal structurecyclized oxadiazole derivativehydrogen bondingC—H...π interactionsπ–π interactions
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Santosh Paswan Manoj K. Bharty Sanyucta Kumari Sushil K. Gupta Nand K. Singh
spellingShingle	Santosh Paswan Manoj K. Bharty Sanyucta Kumari Sushil K. Gupta Nand K. Singh Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine Acta Crystallographica Section E: Crystallographic Communications crystal structure cyclized oxadiazole derivative hydrogen bonding C—H...π interactions π–π interactions
author_facet	Santosh Paswan Manoj K. Bharty Sanyucta Kumari Sushil K. Gupta Nand K. Singh
author_sort	Santosh Paswan
title	Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_short	Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_full	Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_fullStr	Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_full_unstemmed	Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_sort	crystal structure of 5-(furan-2-yl)-n-phenyl-1,3,4-oxadiazol-2-amine
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2015-11-01
description	The title compound, C12H9N3O2, was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H...O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generate R22[8] loops. The dimers are linked by C—H...π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network.
topic	crystal structure cyclized oxadiazole derivative hydrogen bonding C—H...π interactions π–π interactions
url	http://scripts.iucr.org/cgi-bin/paper?S2056989015019453
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Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

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