Date Published: August 01, 2012
Publisher: International Union of Crystallography
Author(s): Hoong-Kun Fun, Ching Kheng Quah, D. Munirajasekhar, M. Himaja, B. K. Sarojini.
The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linked via N—H⋯N, C—H⋯F and C—H⋯N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).
For general background to and the biological activities of benzothiazoles derivatives, see: Al-Soud et al. (2006 ▶); Kini et al. (2007 ▶); Munirajasekhar et al. (2011 ▶); Gurupadayya et al. (2008 ▶); Bowyer et al. (2007 ▶); Mittal et al. (2007 ▶); Pozas et al. (2005 ▶); Rana et al. (2008 ▶). For standard bond-length data, see: Allen et al. (1987 ▶). For the stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986 ▶).