Strong intramolecular hydrogen bond N—H...O in 2-(2-acyl-1-phenylethenyl)-5-phenylpyrroles View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2002-01

AUTHORS

N. N. Chipanina, V. K. Turchaninov, I. I. Vorontsov, M. Yu. Antipin, Z. V. Stepanova, L. N. Sobenina, A. I. Mikhaleva, B. A. Trofimov

ABSTRACT

The molecular structure of 2-(2-benzoyl-1-phenylethenyl)-5-phenylpyrrole and 2-(2-furoyl-1-phenylethenyl)-5-phenylpyrrole was studied by X-ray diffraction analysis at 110 K and quantum chemistry methods (B3LYP/6-31G*). In the crystalline state, both compounds have cyclic structures closed by strong intramolecular hydrogen bond N—H...O. Canonic zwitterionic structure contributes largely to the ground state of the molecules. This is probably due to synergism of the H-bonding and π-electron interactions. More... »

PAGES

111-116

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1023/a:1015069915668

DOI

http://dx.doi.org/10.1023/a:1015069915668

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1014662393


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