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Acta Cryst. (2007). E63, o2984  [ doi:10.1107/S1600536807023914 ]

3-(1,3-Benzoxazol-2-ylsulfanyl)-4H-chromen-4-one

W. Huang

Abstract: In the molecule of the title compound, C16H9NO3S, the two fused ring systems are each planar and make a dihedral angle of 78.0 (1)° with each other. In the crystal structure, intermolecular C-H...O hydrogen bonds link the molecules into chains along the b axis and there are also [pi]-[pi] stacking interactions. The distance between the adjacent ring centroids of the benzoxazole system is 3.89 (1) Å (symmetry code linking the adjacent rings: 1 - x, 1 - y, 1 - z). A further interaction occurs between two adjacent six-membered benzoxazole benzene rings (symmetry code: 1 - x, -y, 1 - z), with a centroid -to-centroid distance of 3.93 (1) Å.

Online 26 May 2007


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