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


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 ?-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).

SUBMITTER: Caruso A 

PROVIDER: S-EPMC5095827 | BioStudies | 2016-01-01T00:00:00Z

REPOSITORIES: biostudies

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