Synthesis, spectroscopic and structural studies of N-(1H-benzimidazol-2-yl)-N′-benzyl propionamidine View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2007-06

AUTHORS

N. Raouafi, M. Freytag, P. G. Jones, M. L. BenKhoud

ABSTRACT

N-(1H-Benzimidazol-2-yl) propionimidic acid ethyl ester (1) reacts with benzylamine to yield the corresponding N-(1H-Benzimidazol-2-yl)-N′-benzyl proponamidine (2). The structure and conformation of the amidine 2 were determined by 1H and 13C NMR and X-ray diffraction. The product crystallizes in monoclinic system with space group P21/c, a = 10.7913 Å, b = 15.5164 Å, c = 9.1130 Å, β = 108.378° and Z = 4. In the crystal there are two N–HN hydrogen bonds, the first is intramolecular H-Bond links H4 to N1; the second one is intermolecular and it links H2 to N3 of a second molecule leading to inversion-related dimers. The X-ray results were compared with those obtained by semi-empirical and ab-initio calculations. More... »

PAGES

381-386

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10870-005-9006-z

DOI

http://dx.doi.org/10.1007/s10870-005-9006-z

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1002231370


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