title: Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxa-diazol-2-amine.
abstract: The title compound, C12H9N3O2, was obtained as a cyclized oxa-diazole derivative from substituted thio-semicarbazide 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 oxa-diazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intra-molecular C-H⋯O contact generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R 2 (2)[8] loops. The dimers are linked by C-H⋯π and π-π inter-actions [range of centroid-centroid distances = 3.291 (2)-3.460 (8) Å], generating a three-dimensional network.
authors.affiliation: Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Santosh
authors.initials: S
authors.lastname: Paswan
authors.affiliation: Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Manoj K
authors.initials: MK
authors.lastname: Bharty
authors.affiliation: Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Sanyucta
authors.initials: S
authors.lastname: Kumari
authors.affiliation: School of Studies in Chemistry, Jiwaji University, Gwalior 474 011, India.
authors.forename: Sushil K
authors.initials: SK
authors.lastname: Gupta
authors.affiliation: Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Nand K
authors.initials: NK
authors.lastname: Singh
keywords: C—H⋯π inter­actions; crystal structure; cyclized oxa­diazole derivative; hydrogen bonding; π–π inter­actions