5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

In the title compound, C13H11N3O2, the furan ring is disordered over two orientations, with occupancies of 0.902 (2) and 0.098 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and the furan ring (major disorder component) are 10.12 (11) and 1.76 (15)°, respect...

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Main Authors:	Santosh Paswan, Manoj K. Bharty, Sushil K. Gupta, Ray J. Butcher, Jerry P. Jasinski
Format:	Article
Language:	English
Published:	International Union of Crystallography 2016-11-01
Series:	IUCrData
Subjects:	crystal structure cyclized oxadiazole derivative hydrogen bonding C—H...π interactions π–π interactions
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2414314616017247

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spelling	doaj-e5f5b4463ff543c5a5ed32cbbc9268d12020-11-24T21:22:56ZengInternational Union of CrystallographyIUCrData2414-31462016-11-01111x16172410.1107/S2414314616017247sj40675-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amineSantosh Paswan0Manoj K. Bharty1Sushil K. Gupta2Ray J. Butcher3Jerry P. Jasinski4Department 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 47011, IndiaDepartment of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USADepartment of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USAIn the title compound, C13H11N3O2, the furan ring is disordered over two orientations, with occupancies of 0.902 (2) and 0.098 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and the furan ring (major disorder component) are 10.12 (11) and 1.76 (15)°, 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 = 3.301 (7)–3.689 (1) Å], generating a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2414314616017247crystal structurecyclized oxadiazole derivativehydrogen bondingC—H...π interactionsπ–π interactions
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Santosh Paswan Manoj K. Bharty Sushil K. Gupta Ray J. Butcher Jerry P. Jasinski
spellingShingle	Santosh Paswan Manoj K. Bharty Sushil K. Gupta Ray J. Butcher Jerry P. Jasinski 5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine IUCrData crystal structure cyclized oxadiazole derivative hydrogen bonding C—H...π interactions π–π interactions
author_facet	Santosh Paswan Manoj K. Bharty Sushil K. Gupta Ray J. Butcher Jerry P. Jasinski
author_sort	Santosh Paswan
title	5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_short	5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_full	5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_fullStr	5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_full_unstemmed	5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
title_sort	5-(2-methylfuran-3-yl)-n-phenyl-1,3,4-oxadiazol-2-amine
publisher	International Union of Crystallography
series	IUCrData
issn	2414-3146
publishDate	2016-11-01
description	In the title compound, C13H11N3O2, the furan ring is disordered over two orientations, with occupancies of 0.902 (2) and 0.098 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and the furan ring (major disorder component) are 10.12 (11) and 1.76 (15)°, 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 = 3.301 (7)–3.689 (1) 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?S2414314616017247
work_keys_str_mv	AT santoshpaswan 52methylfuran3ylnphenyl134oxadiazol2amine AT manojkbharty 52methylfuran3ylnphenyl134oxadiazol2amine AT sushilkgupta 52methylfuran3ylnphenyl134oxadiazol2amine AT rayjbutcher 52methylfuran3ylnphenyl134oxadiazol2amine AT jerrypjasinski 52methylfuran3ylnphenyl134oxadiazol2amine
_version_	1725994303974539264

5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

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