Abstract
The title molecular salts (C5H9N\(_{4}^{ + }\))(C5H8N4)(C7H5O\(_{3}^{ - }\)) (I) and (C5H9N\(_{4}^{ + }\))(C8H5O\(_{4}^{ - }\)) (II) have been synthesized and characterized by single crystal X-ray diffraction, FT-IR and Hirshfeld surface analysis. I crystallizes in monoclinic system, sp. gr. P21/c, Z = 4. II crystallizes in triclinic system, sp. gr. P\(\bar {1}\), Z = 2. Both crystal structures are stabilized by N–H···O, N–H···N, O–H···O hydrogen bonds and weak π–π stacking interactions and form a ring motifs (\(R_{2}^{2}\)(8)) containing N+–H···O– charge-assisted hydrogen bonds. FT-IR spectra confirm the presence of the functional groups in the synthesized compounds. Hirshfeld surface analysis was employed in order to study intermolecular interactions.
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ACKNOWLEDGMENTS
KB thanks the Department of Science and Technology (DST-SERB), New Delhi, India, for financial support (grant no. SB/ FT/CS-058/2013), RS thanks the Department of Science and Technology (DST), New Delhi, India, for financial support in the form of INSPIRE fellowship (INSPIRE code no. IF131050). The authors wish to thank SAIF-STIC, Cochin, Kerala for collecting the single crystal X-ray diffraction.
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Sangeetha, R., Balasubramani, K. Synthesis, Crystal Structure, FT-IR Spectral Studies and Hirshfeld Surface Analysis of 3-Amino-5,6-dimethyl-1,2,4-triazine/3-Amino-5,6-dimethyl-1,2,4-triazinium-2 2-hydroxybenzoate and 3-Amino-5,6-dimethyl-1,2,4-triazinium-2 hydrogen phthalate. Crystallogr. Rep. 63, 916–924 (2018). https://doi.org/10.1134/S1063774518060263
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DOI: https://doi.org/10.1134/S1063774518060263