Hydrogen bonding and C—H⃛O interactions in 4‐phenanthrenemethanol at 150 K |
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Authors: | Roger E. Gerkin |
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Abstract: | The title compound, C15H12O, crystallizes in the centrosymmetric space group I41/a with one molecule in the asymmetric unit. In the single hydrogen bond, the H atom is ordered, the OD?OA distance is 2.788 (1) Å and the O—H?O angle is 176 (1)°. Each hydroxyl group forms hydrogen bonds with two other hydroxyl groups and the resulting chains of interactions, in four non‐linked subsets of molecules, propagate along [001]. The single leading intermolecular C—H?O interaction has an H?O distance of 2.81 Å and a C—H?O angle of 140°; the single leading intramolecular C—H?O interaction has an H?O distance of 2.24 Å and a C—H?O angle of 152°. The phenanthrene core is less nearly planar in this structure than in the room temperature structure of phenanthrene‐4‐carboxylic acid. |
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