Preparation, Spectral, Crystal Structures, Synthons Investigation and Hirshfeld Surface Analysis of Each of a Salt and Cocrystal Derived from Picolinic Acid
摘要
In this document we carry out the cocrystallization of the both diacids, 1,5-naphthalenedisulfonic acid (H2nds) and the 3-nitrophthalic acid (H2npta), with the picolinic acid (pa), and two unpublished hydrate multicomponent crystalline phases are successfully grown by the solution controlled ventilation technique. Characterizations by single crystal X-ray diffraction (SCXRD), Fourier transform Infrared (FTIR) spectrum, and melting points (Tmp) measurement display that the both new systems are produced, embodying a 2:1 dihydrate salt of the pa and H2nds, and a 1:1 pa-H2npta monohydrate cocrystal. To unveil the associates within the crystal stackings of the both complexes, Hirshfeld surface analysis (HSA) is conducted. Through the supramolecular synthons investigation the structural and supramolecular natures are uncovered in full detail. Both structures have the hetero supramolecular synthons. Investigation on the crystal packings unveils that the N–H⋯O/O–H⋯O H bonds are included within both the complexes. Salt 1 shows the additional N–H⋯S/O–H⋯S H-bonds. Apart from the classical H-bonds, the auxiliary linkages of the CH–O, CH–π, O–O, C–π and O–π also play the key roles in the spatial expandings. The HSA adds the additional sights into the popularity of the diverse short noncovalent linkages within both the crystal structures. The both systems are decorated by the