Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)

organic compounds

fy2102 scheme

Acta Cryst. (2013). E69, o1337-o1338    [ doi:10.1107/S1600536813020497 ]


K. C. T. Bandeira, L. Bresolin, C. Näther, I. Jess and A. B. de Oliveira

Abstract: In the title compound, C15H11BrN4OS, the least-squares plane through the 5-bromoisatin fragment forms a dihedral angle of 13.63 (14)° with the phenyl ring. The molecular conformation features intramolecular N-H...N and N-H...O hydrogen bonds. In the crystal, molecules are connected via pairs of N-H...O interactions into centrosymmetric dimers. Additionally, [pi]-[pi] stacking interactions link molecules into chains parallel to the a axis with short C...C distances being observed between the phenyl and thiocarbonyl [3.236 (8) Å] groups and between the thiocarbonyl and carbonyl [3.351 (4) Å] groups of stacked molecules.

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