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The Na—O bond in sodium fenamate
Author(s) -
Krawczyk Marta S.,
Majerz Irena
Publication year - 2019
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520619009065
Subject(s) - carboxylate , hydrogen bond , intramolecular force , chemistry , molecule , sodium , crystallography , non covalent interactions , oxygen atom , atoms in molecules , atom (system on chip) , oxygen , inorganic chemistry , stereochemistry , organic chemistry , computer science , embedded system
The one‐dimensional polymeric structure of sodium diaquafenamate–water (1/1) was studied by X‐ray diffraction. The sodium cation is coordinated to one oxygen atom of the carboxylate group and to four water oxygen atoms. To characterize the Na—O bonds, the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) approaches have been used. Both methods confirmed that the Na—O bonds are very weak, comparable with the weak N—H…O intramolecular hydrogen bond. The polymeric structure is stabilized by the interaction of the sodium cation with the surrounding water molecules.