2-(Biphenyl-4-yl)propan-2-ol
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. Bot...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-03-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812003716 |
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doaj-a0fa5cd96a15479fa61fcef9f213af262020-11-25T02:46:54ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-03-01683o580o58010.1107/S16005368120037162-(Biphenyl-4-yl)propan-2-olDavid C. LilesEric ModauPetrus H. van RooyenThe 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°.http://scripts.iucr.org/cgi-bin/paper?S1600536812003716 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
David C. Liles Eric Modau Petrus H. van Rooyen |
| spellingShingle |
David C. Liles Eric Modau Petrus H. van Rooyen 2-(Biphenyl-4-yl)propan-2-ol Acta Crystallographica Section E |
| author_facet |
David C. Liles Eric Modau Petrus H. van Rooyen |
| author_sort |
David C. Liles |
| title |
2-(Biphenyl-4-yl)propan-2-ol |
| title_short |
2-(Biphenyl-4-yl)propan-2-ol |
| title_full |
2-(Biphenyl-4-yl)propan-2-ol |
| title_fullStr |
2-(Biphenyl-4-yl)propan-2-ol |
| title_full_unstemmed |
2-(Biphenyl-4-yl)propan-2-ol |
| title_sort |
2-(biphenyl-4-yl)propan-2-ol |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2012-03-01 |
| description |
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°. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812003716 |
| work_keys_str_mv |
AT davidcliles 2biphenyl4ylpropan2ol AT ericmodau 2biphenyl4ylpropan2ol AT petrushvanrooyen 2biphenyl4ylpropan2ol |
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1724755863515693056 |