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Abstract
There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C15H11FO3S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12) domain ratio. In the crystal structure, the two independent molecules are related by a pseudo-inversion center. The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1)° in molecule A and 80.7 (1)° in molecule B. In the crystal structure, the A and B molecules are linked by aromatic π–π interactions between the furan and benzene rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.671 (7) and 3.715 (7) Å. In addition, the crystal structure also exhibits two weak non-classical intermolecular C—H⋯O hydrogen bonds.
Highlights
There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C15H11FO3S
The two independent molecules are related by a pseudo-inversion center
The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1) in molecule A and 80.7 (1)
Summary
R factor = 0.049; wR factor = 0.115; data-to-parameter ratio = 11.0. There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C15H11FO3S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12). The two independent molecules are related by a pseudo-inversion center. The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1) in molecule A and 80.7 (1). The A and B molecules are linked by aromatic – interactions between the furan and benzene rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.671 (7) and 3.715 (7) Å. The crystal structure exhibits two weak nonclassical intermolecular C—H O hydrogen bonds
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