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Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π-π and halogen interactions.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Abboud, Mohamed A. Al Mamane, Victor Aubert, Emmanuel |
| Copyright Year | 2013 |
| Abstract | The crystal packing of the title compound, C(24)H(18)Br(2)N(2)S(2), is rationalized using the PIXEL method, which allows a separation of the intermolecular interaction energy into Coulombic, polarization, dispersion and repulsion contributions. Infinite (101) molecular planes are formed through π-π stacking and other minor interactions, including a Br.S contact, with the σ hole of the Br atom pointing towards the S-atom lone pair. The title compound has crystallographically imposed twofold symmetry, with the twofold axis at the mid-point of the central C-C bond. |
| Starting Page | 56 |
| Ending Page | 60 |
| Page Count | 5 |
| File Format | PDF HTM / HTML |
| DOI | 10.1107/S0108270112048196 |
| PubMed reference number | 23282915 |
| Journal | Medline |
| Volume Number | 69 |
| Part | 1 |
| Alternate Webpage(s) | https://journals.iucr.org/c/issues/2013/01/00/fg3278/fg3278.pdf |
| Journal | Acta crystallographica. Section C, Crystal structure communications |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |