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Intramolecular hydrogen bond C-H⋯N in 1,1′-divinyl-2,2′-diimidazolyl according to the data ofab initiocalculations and QTAIM analysis

✍ Scribed by Vashchenko, A. V.; Afonin, A. V.

Book ID: 121581731
Publisher: SP MAIK Nauka/Interperiodica
Year: 2013
Tongue: English
Weight: 210 KB
Volume: 54
Category: Article
ISSN: 0022-4766
DOI: 10.1134/S002247661306005X

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## Abstract According to the ^1^H, ^13^C and ^15^N NMR spectroscopic data and DFT calculations, the __E__‐isomer of 1‐vinylpyrrole‐2‐carbaldehyde adopts preferable conformation with the __anti__‐orientation of the vinyl group relative to the carbaldehyde oxime group and with the __syn__‐arrangement