(E)-1-Phenyl-ethanone semicarbazone

Abstract

In the title compound, C9H11N3O, the benzene ring is disordered over two positions with refined occupancies of 0.922 (5) and 0.078 (5). The program PLATON [Spek (2009). Acta Cryst. D65, 148-155] recommends the solution in the space group C2/m with a = 7.3050 (3), b = 6.6745 (2), c = 18.3853 (6) and ? = 96.986 (2) . However, the large number of non-extinct reflections needed to be ignored if C2/m is chosen suggested that the space group is incorrect, even though the R values are lower than that for P21/c. The semicarbazone group is essentially planar, with a maximum deviation of 0.046 (1) for one of the N atoms. The mean plane of the semicarbazone group forms dihedral angles of 33.61 (8) and 39.1 (9) with the benzene ring of the major and minor components, respectively. In the crystal structure, mol-ecules are linked by inter-molecular N - H?O hydrogen bonds into extended chains along the c axis. The crystal structure is further stabilized by weak inter-molucular C - H?? inter-actions. 2009 Fun et al.