05904nas a2200217 4500008004100000245010700041210006900148260000800217300001400225490000700239520510300246100002105349700002505370700002705395700002405422700002405446700001905470700002105489700002405510856015205534 2024 eng d00aSynthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth­­oxy­phen­yl)picolinamide0 aSynthesis crystal structure and Hirshfeld surface analysis of N4 cDEC a1293-12970 v803 a

The synthesis, crystal structure, and Hirshfeld surface analysis of N-(4-meth­oxy­phen­yl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic space group P21/n, with a single mol­ecule in the asymmetric unit. 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 van der Waals forces and hydrogen bonding in crystal packing.

1 aBurieva, Dilnoza1 aTorambetov, Batirbay1 aBobonazarova, Sarvinoz1 aAbdushukurov, Anvar1 aKholikov, Tursinali1 aKhan, Akram, A1 aAshurov, Jamshid1 aYusufov, Mukhriddin uhttps://library.ncl.res.in/content/synthesis-crystal-structure-and-hirshfeld-surface-analysis-n-4-meth%C2%AD%C2%ADoxy%C2%ADphen%C2%ADylpicolinamide