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Solid State Analysis and Theoretical Explorations on Polymorphic and Hydrate Forms of p-Hydroxybenzaldehyde Isonicotinichydrazone: Effect of Additives on Polymorphic Crystallization

preprint
submitted on 12.06.2018 and posted on 12.06.2018 by Lincy Tom, Victoria A. Smolenski, Jerry P. Jasinski, M.R. Prathapachandra Kurup
The reaction of p-hydroxybenzaldehyde with an equimolar amount of isonicotinic hydrazide afforded two polymorphic and hydrate forms of p-hydroxybenzaldehyde isonicotinichydrazone (HBIH) by varying the experimental reaction conditions. The compounds are fully characterized by means of single crystal and powder diffraction methods, vibrational spectroscopy (FT-IR and Raman), thermal and elemental analysis. The compound crystallizes in three different forms in two different space groups, P21/c (form PA and PB) and Pbca (PC). The Hirshfeld surface analysis shows the differences in the relative contributions of intermolecular interactions to the total Hirshfeld surface area for the HBIH molecules. The calculated pairwise interaction energies (104-116 kJ/mol) can be related to the stability of the crystals. Energy framework analysis identifies the interaction hierarchy and their topology. The geometry and conformation of the three forms are essentially similar which differ only by packing arrangement.

History

Email Address of Submitting Author

lincydac@gmail.com

Email Address(es) for Other Author(s)

mrpcusat@gmail.com

Institution

Cochin University of Science and Technology

Country

India

ORCID For Submitting Author

0000-0001-6863-9781

Declaration of Conflict of Interest

No conflict of Interest

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