Crystal Structure Determination and Hydrogen-Bonding Patterns in 2-Pyridinecarboxamide.docVIP

Crystal Structure Theory and Applications, 2012, 1, 30-34 /10.4236/csta.2012.13006 Published Online December 2012 (http://www.SciRP.org/journal/csta) Crystal Structure Determination and Hydrogen-Bonding Patterns in 2-Pyridinecarboxamide Gerzon E. Delgado , Asiloé J. Mora, Marilia Guillén-Guillén, Jeans W. Ramírez, Jines E. Contreras * Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida, Venezuela Email: gerzon@ula.ve * Received September 17, 2012; revised October 18, 2012; accepted October 26, 2012 ABSTRACT The title compound, 2-pyridinecarboxamide, C H N O, crystallize in the monoclinic system with space group P2 /n 6 6 2 1 (N?14), Z = 4, and unit cell parameters a = 5.2074(1) ?, b = 7.1004(1) ?, c = 16.2531(3) ?, ? = 100.260(1)?. The crys- tal structure of the title compound, was reported previously from Weissenberg photographic data with R = 0.127. It has now been redetermined, providing a significant increase in the precision of the derived geometric parameters. The crys- tal packing is governed by N--H···O hydrogen bond-type intermolecular interactions, forming infinite one-dimensional 2 2 chains with graph-set notation C(4), R 2(8) and R 4(8). Keywords: Pyridinecarboxamides; Picolinamide; X-Ray Crystal Structure; Hydrogen Bonding 1. Introduction The present paper reports a redetermination of the crystal structure of 2-pyridinecarboxamide (picolinamide), with greater precision and accuracy. An analysis of the hy- drogen-bonding patterns is also included. The three isomers of pyridinecarboxamide; 2-pyridine carboxamide or picolinamide, 3-pyridinecarboxamide or nicotinamide and 4-pyridinecarboxamide or isonicotina- mide are a class of medicinal agents which can be classi- fied as GRAS (generally regarded as safe) compounds. In particular, nicotinamide (niacinamide, Vitamin B3) and picolinamide show important biological activity with