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Crystallographic and Theoretical Evidence of Anion–π and Hydrogen‐Bonding Interactions in a Squaramide–Nitrate Salt
Author(s) -
Rotger Carmen,
Soberats Bartomeu,
Quiñonero David,
Frontera Antonio,
Ballester Pablo,
BenetBuchholz Jordi,
Deyà Pere M.,
Costa Antoni
Publication year - 2008
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.200701209
Subject(s) - squaramide , chemistry , hydrogen bond , salt (chemistry) , ion , crystal structure , molecular recognition , crystallography , nitrate , stereochemistry , molecule , organic chemistry , organocatalysis , enantioselective synthesis , catalysis
Synthetic anionic receptors are fundamental to the understanding of the mechanism of recognition phenomena, which is the basis of many fundamental biological processes. Recognition studies and X‐ray crystallography techniques provide accurate information on the structure of the molecular complexes and the nature of the interactions involved. Here, we present the first example of a squaramide–nitrate salt. X‐ray crystallography and theoretical studies show the important roles of anion–π and hydrogen‐bonding interactions in the crystal packing of this compound in relation to those found in the free squaramide solid structure.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)