Crystallography Reports

, Volume 63, Issue 6, pp 916–924 | Cite as

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

  • R. SangeethaEmail author
  • K. BalasubramaniEmail author


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.



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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© Pleiades Publishing, Inc. 2018

Authors and Affiliations

  1. 1.Department of Chemistry, Government Arts College(Autonomous)TamilnaduIndia

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