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

The title compound, C(12)H(9)N(3)O(2), 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 centra...

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Detalles Bibliográficos
Autores principales: Paswan, Santosh, Bharty, Manoj K., Kumari, Sanyucta, Gupta, Sushil K., Singh, Nand K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645015/
https://www.ncbi.nlm.nih.gov/pubmed/26594577
http://dx.doi.org/10.1107/S2056989015019453
Descripción
Sumario:The title compound, C(12)H(9)N(3)O(2), 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 R (2) (2)[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.