Unknown

Dataset Information

0

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-other | 2016 Nov

REPOSITORIES: biostudies-other

Json Xml
altmetric image

Publications

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

Caruso Alessio A   Blair Benjamin B   Tanski Joseph M JM  

Acta crystallographica. Section E, Crystallographic communications 20161007 Pt 11

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, C<sub>9</sub>H<sub>7</sub>ClO (I), and 6-bromo-indan-1-one, C<sub>9</sub>H<sub>7</sub>BrO (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  ...[more]

Similar Datasets

Unknown Crystal structures of 4-chloro-pyridine-2-carbo-nitrile and 6-chloro-pyridine-2-carbo-nitrile exhibit different inter-molecular π-stacking, C-H⋯Nnitrile and C-H⋯Npyridine inter-actions.
| S-EPMC4518955 | biostudies-literature
Unknown Different packing motifs mediated by weak inter-actions and polymorphism in the crystal structures of five 2-(benzyl-idene)benzosuberone derivatives.
| S-EPMC6829743 | biostudies-literature
Unknown (E)-2-(4-Bromo-benzyl-idene)indan-1-one.
| S-EPMC3200602 | biostudies-literature
Unknown Weak inter-actions in the crystal structures of two indole derivatives.
| S-EPMC4992916 | biostudies-literature
Unknown (E)-2-(4-Chloro-benzyl-idene)indan-1-one.
| S-EPMC3213510 | biostudies-literature
Unknown Crystal structure of 3-bromo-acetyl-6-chloro-2H-1-benzo-pyran-2-one.
| S-EPMC4571426 | biostudies-literature
Unknown Crystal Structure and Solid-State Packing of 4-Chloro-5H-1,2,3-dithiazol-5-one and 4-Chloro-5H-1,2,3-dithiazole-5-thione.
| S-EPMC8512425 | biostudies-literature
Unknown Crystal structures of (S)-(+)-5-(3-bromo/chloro-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione.
| S-EPMC4770946 | biostudies-literature
Unknown 4-Bromo-2-(4-fluoro-benzyl-idene)indan-1-one.
| S-EPMC2977330 | biostudies-other
Unknown Crystal structures and Hirshfeld surface analyses of 6,8-dimeth-oxy-3-methyl-1H-isochromen-1-one and 5-bromo-6,8-dimeth-oxy-3-methyl-1H-isochromen-1-one chloro-form monosolvate.
| S-EPMC7336779 | biostudies-literature