Molecular interactions in bis(2-aminopyridinium) malonate: A crystal isostructural to bis(2-aminopyridinium) maleate crystal

Chitra, R and Choudhury, RR and Thiruvenkatam, Vijay and Hosur, MV and Row, Guru TN (2012) Molecular interactions in bis(2-aminopyridinium) malonate: A crystal isostructural to bis(2-aminopyridinium) maleate crystal. In: Journal of Molecular Structure, 1010 . pp. 46-51.

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Abstract

Crystals of a new salt in 2:1 ratio of 2-aminopyridine and malonic acid are grown by slow evaporation. These crystals of bis(2-aminopyridinium) malonate are orthorhombic and belong to the non-centrosymmetric space group, Fdd2 with parameters a = 22.0786(6), b = 23.0218(6), c = 5.5595(1)angstrom and Z=8 at 300 K. The crystals are isostructural to those of bis(2-aminopyridinium) maleate, which is a NLO material. The isostructurality index between bis(2-aminopyridinium) maleate and bis(2-aminopyridinium) malonate was also calculated. The hyperpolarizability calculated using semi empirical method MOPAC2009 showed that bis(2-aminopyridinium) malonate has slightly higher beta value compared to that of bis(2-aminopyridinium) maleate. (C) 2011 Elsevier B.V. All rights reserved.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier Science B.V.
Additional Information:	Copyright of this article belongs to Elsevier Science B.V.
Keywords:	2-Aminopyridinium;Malonic acid;Single crystal X-ray diffraction;Isostructurality
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	25 Apr 2012 08:34
Last Modified:	25 Apr 2012 08:34
URI:	http://eprints.iisc.ac.in/id/eprint/44351

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