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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

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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… Click to show full 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.

Keywords: amino dimethyl; amino; dimethyl triazinium; hirshfeld surface

Journal Title: Crystallography Reports
Year Published: 2018

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