2-(Biphenyl-4-yl)propan-2-ol
| Autor: | David C. Liles, Eric Modau, Petrus H. van Rooyen |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2012 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E, Vol 68, Iss 3, Pp o580-o580 (2012) |
| Druh dokumentu: | article |
| ISSN: | 16005368 1600-5368 |
| DOI: | 10.1107/S1600536812003716 |
| Popis: | The title compound, C15H16O, crystallizes with two independent molecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetramer where the four molecules are connected by O—H...O hydrogen bonds. The molecules pack parallel to the c axis. Both molecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each molecule are 7.96 (12) and 9.75 (13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°. |
| Databáze: | Directory of Open Access Journals |
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