Pyrimethamine-Based Novel Co-Crystal Salt: Synthesis, Single-Crystal Investigation, Hirshfeld surface analysis and DFT inspection of the 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dichlorobenzoate (1:1) (DECB)
作者： Muhammad Nawaz Tahir , Akbar Ali , Muhammad Ashfaq , Georgii Bogdanov , Safia Abdullah
DOI: 10.1016/J.MOLSTRUC.2021.130215
关键词: Salt (chemistry) 、 Electrophile 、 Crystallography 、 Base (chemistry) 、 Single crystal 、 Density functional theory 、 Crystal 、 Reactivity (chemistry) 、 Chemistry 、 Intermolecular force
摘要: … π bonding are responsible for crystal packing forming the infinite 3D network. Hirshfeld surface … to compute energy values for the frontier molecular orbitals, energy values of the whole …
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