Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



xu5707 scheme

Acta Cryst. (2013). E69, o1007-o1008    [ doi:10.1107/S1600536813014621 ]

{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone

K. N. Venugopala, S. K. Nayak, T. Govender, H. G. Kruger and G. E. M. Maguire

Abstract: The asymmetric unit of the title compound, C21H13ClFNO2S, contains two independent molecules with similar conformations. In the molecules, the thiazole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluorophenyl ring and chlorophenyl rings at 9.96 (18) and 70.39 (18)° in one molecule and at 7.50 (18) and 68.43 (18)° in the other; the dihedral angles between the fluorophenyl and chlorophenyl rings are 64.9 (2) and 64.6 (2)°, respectively. Intermolecular C-H...O and C-H...F hydrogen bonds stabilize the three-dimensional supramolecular architecture. Weak C-H...[pi] and [pi]-[pi] interactions [centroid-centroid distance = 3.877 (3) Å] lead to a criss-cross molecular packing along the c axis.


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