File:2-phenylpyridine-based-on-xtal-and-DFT-3D-sf.png
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editDescription2-phenylpyridine-based-on-xtal-and-DFT-3D-sf.png |
Space-filling 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:
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Source | Own work | |||
Author | Ben Mills | |||
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current | 14:37, 1 February 2021 | ![]() | 1,428 × 2,307 (388 KB) | Benjah-bmm27 (talk | contribs) | == {{int:filedesc}} == {{Information | Description = Space-filling 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|X-... |
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Horizontal resolution | 72 dpi |
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Vertical resolution | 72 dpi |
Color space | sRGB |
Image width | 1,428 px |
Image height | 2,307 px |
Software used | Adobe Photoshop Elements 14.0 (Macintosh) |
Date and time of digitizing | 16:43, 31 January 2021 |
File change date and time | 14:24, 1 February 2021 |
Date metadata was last modified | 14:24, 1 February 2021 |
Unique ID of original document | xmp.did:eeb08a32-258d-4524-b6b8-7113a10aac94 |