Crystal structures of 6-chloro-indan-1-one and 6-bromo-indan-1-one exhibit different inter-molecular packing inter-actions

6-氯茚满-1-酮和6-溴茚满-1-酮的晶体结构表现出不同的分子间堆积相互作用

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作者:Alessio Caruso, Benjamin Blair, Joseph M Tanski

Abstract

The two title compounds are analogs of 1-indanone that are substituted at the 6-position with chlorine and bromine. Although very similar in mol-ecular structure, the crystal structures are not isomorphous and reveal that 6-chloro-indan-1-one, C9H7ClO (I), and 6-bromo-indan-1-one, C9H7BrO (II), exhibit unique inter-molecular packing motifs. The mol-ecules of the chloro analog (I) pack with a herringbone packing motif of C-H⋯O inter-actions, whereas the bromo derivative (II) packs with offset face-to-face π-stacking, C-H⋯O, C-H⋯Br and Br⋯O inter-actions. Compound (II) was refined as a two-component non-merohedral twin, BASF 0.0762 (5).

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