Dinicotinamidium squarate.

Acta Crystallogr C

Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayís University, TR-55139, Kurupelit-Samsun, Turkey.

Published: December 2003

The crystal structure determination of the dinicotinamidium squarate salt, 2C(6)H(7)N(2)O(+).C(4)O(4)(2-), is reported, with the squarate dianion residing on an inversion centre and the unique cation in a general position. Salt formation occurs by donation of two H atoms from squaric acid to the nicotinamide base. The crystal packing is derived from three types of hydrogen bonding. The primary hydrogen bond involves a squarate anion O atom and an H atom of the protonated pyridine group of the nicotinamide, with an N.O distance of 2.5760 (13) A. The second hydrogen bond involves a second anion O atom and an amide H atom, with an N.O distance of 2.8374 (14) A. Thirdly, an intermolecular interaction between two coplanar nicotinamide moieties occurs between an amide O atom and a symmetry-related amide H atom, with an N1.O3 distance of 2.8911 (15) A. These hydrogen bonds are also responsible for the planarity of the nicotinamide moiety in the salt.

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http://dx.doi.org/10.1107/s0108270103025903DOI Listing

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