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File:2-phenylpyridine-based-on-xtal-and-DFT-3D-bs-17.png

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Ball-and-stick model of a 2-phenylpyridine molecule, 2-PhPy i.e. PhC5H4N or C11H9.

There is a low barrier to rotation about the C-C single bond in 2-phenylpyridine, so both planar and twisted conformations are observed. For example, the molecule is planar in the crystal structure determined by X-ray diffraction and reported in CSD entry HOJWIP but is calculated to be twisted by 22±1° in Chem. Phys. Lett. (2000) 321, 399-405 and J. Chem. Theory Comput. (2006) 2, 1530-1537.

Colour code:

  Carbon, C: grey
  Hydrogen, H: white
  Nitrogen, N: blue
Model manipulated in Avogadro 1.2 and image generated in CCDC Mercury 3.8.
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Author Ben Mills
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Public domain This work has been released into the public domain by its author, Benjah-bmm27. This applies worldwide.

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current14:37, 1 February 2021Thumbnail for version as of 14:37, 1 February 20211,209 × 2,248 (296 KB)Benjah-bmm27 (talk | contribs)== {{int:filedesc}} == {{Information | Description = Ball-and-stick model of a 2-phenylpyridine molecule, 2-PhPy i.e. PhC<sub>5</sub>H<sub>4</sub>N or C<sub>11</sub>H<sub>9</sub>. There is a low barrier to rotation about the C-C single bond in 2-phenylpyridine, so both planar and twisted conformations are observed. For example, the molecule is planar in the crystal structure determined by [[:en:X-ray diffraction|...

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