Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide
Title | Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide |
Publication Type | Journal Article |
Year of Publication | 2024 |
Authors | Burieva, D, Torambetov, B, Bobonazarova, S, Abdushukurov, A, Kholikov, T, Khan, AA, Ashurov, J, Yusufov, M |
Journal | Acta Crystallographica Section E: Crystallographic Communications |
Volume | 80 |
Issue | 12 |
Pagination | 1293-1297 |
Date Published | DEC |
Type of Article | Article |
Abstract | The synthesis, and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic P21/n, with a single molecule in the Structural analysis reveals that all non-hydrogen atoms are nearly coplanar, and the molecule exhibits two intramolecular hydrogen bonds that stabilize its conformation. Supramolecular features include significant intermolecular interactions, primarily C—H⋯π and various hydrogen bonds, contributing to the overall crystal cohesion, as confirmed by energy framework calculations yielding a total interaction energy of −138.3 kJ mol−1. Hirshfeld surface analysis indicates that H⋯H interactions dominate, followed by C⋯H and O⋯H interactions, highlighting the role of and hydrogen bonding in crystal packing. |
DOI | 10.1107/S2056989024010843 |
Type of Journal (Indian or Foreign) | Foreign |
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