Structural, Spectroscopic and Hirshfeld Surface Analysis of Anilinium Malonate

F. Mary Anjalin1, N. Kanagathara1,*, M.K. Marchewka2 and T. Srinivasan3

1Department of Physics, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences, Thandalum, Chennai-602105, India

2Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-950 Wroclaw, 2, P.O. Box 937, Poland

3Department of Physics with Computer Application, A.M. Jain College, Meenambakkam, Chennai-600114, India

*Corresponding author: E-mail: kanagathara23275@gmail.com

Abstract

The comprehensive elucidation of the crystal structure, vibrational and Hirshfeld surface analysis of new crystalline product anilinium malonate C6H5NH3+. C3H3O4 are presented in this communication. Single crystals of anilinium malonate have been grown by the method of slow evaporation at room temperature. Single crystal XRD study has been carried out to study the structural properties of the grown crystal and it reveals that the crystal crystallizes in the monoclinic system with centrosymmetric space group P2(1)/n. Room temperature powder infrared and Raman spectra of the aniline malonic acid molecular complex (1:1) were carried out. All the characteristic frequencies present in the crystal gives the notable vibrational effect. Hirshfeld surface analysis has been carried out to know the intercontact between the atoms in the structure of the grown crystal.

Keywords

Crystal structure, Vibrational studies, Hydrogen bond, Hirshfeld analysis

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