(E)-1-Phenyl-ethanone semicarbazone

Abstract

In the title compound, C<inf>9</inf>H<inf>11</inf>N<inf>3</inf>O, 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) Å 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 P2<inf>1</inf>/c. The semicarbazone group is essentially planar, with a maximum deviation of 0.046 (1) Å 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.