Model of 1,1,1,3,3,3-Hexafluoro-propan-2-ol for Molecular Dynamics Simulations
✍ Scribed by Fioroni, Marco; Burger, Klaus; Mark, Alan E.; Roccatano, Danilo
- Book ID
- 120822417
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 361 KB
- Volume
- 105
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The title inclusion compound, 2C 15 H 10 F 6 O 2 Á3C 6 H 6 , has an organic zeolite-type structure. The diol molecules selfassemble to form a three-dimensional framework through O-HÁ Á ÁO hydrogen bonds and possible FÁ Á ÁF interactions, whereas the benzene molecules are trapped in channel-like cavi
Molecules of the title compound, C~10~H~12~N~2~OS, are interconnected by N—H...O hydrogen bonds of moderate strength into infinite chains. There are also intramolecular O—H...N bonds of moderate length. Weaker interactions are represented by C—H...N bonds as well as by π–π interactions between the i