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?? and ?-? inter-actions [range of centroid-centroid distances = 3.291?(2)-3.460?(8)?Å], generating a three-dimensional network.

SUBMITTER: Paswan S 

PROVIDER: S-EPMC4645015 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature