Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 7 (July 2005)

organic compounds

sq1211 scheme

Acta Cryst. (2005). C61, o438-o441 [doi:10.1107/S0108270105016185]

C-HO, C-H and - interactions in three benzofuran-2-yl ketone derivatives

V. T. Yilmaz, C. Kazak, C. Kirilmis, M. Koca and F. W. Heinemann

Abstract: The molecules of 2-benzoyl-1-benzofuran, C₁₅H₁₀O₂, (I), interact through double C-HO hydrogen bonds, forming dimers that are further linked by C-HO, C-H [bold pi] and - interactions, resulting in a three-dimensional supramolecular network. The dihedral angle between the benzoyl and benzofuran fragments in (I) is 46.15 (3)°. The molecules of bis(5-bromo-1-benzofuran-2-yl) ketone, C₁₇H₈Br₂O₃, (II), exhibit C₂ symmetry, with the carbonyl group (C=O) lying along the twofold rotation axis, and are linked by a combination of C-HO and C-H [bold pi] interactions and BrBr contacts to form sheets. The stability of the molecular packing in 3-mesityl-3-methylcyclobutyl 3-methylnaphtho[1,2-b]furan-2-yl ketone, C₂₈H₂₈O₂, (III), arises from C-H and - stacking interactions. The fused naphthofuran moiety in (III) is essentially planar and makes a dihedral angle of 81.61 (3)° with the mean plane of the trimethylbenzene ring.

Formula: C₁₅H₁₀O₂, C₁₇H₈Br₂O₃ and C₂₈H₂₈O₂


	Structure factor file (CIF format) (120.2 kbytes) Contains datablock I

	Structure factor file (CIF format) (87.6 kbytes) Contains datablock II

	Structure factor file (CIF format) (200.8 kbytes) Contains datablock III

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