DFT and single-crystal investigation of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium-4-methylbenzoate hydrate (1:1:1) (DEMH)
Muhammad Ashfaq, Akbar Ali, Aleksey E. Kuznetsov, Muhammad Nawaz Tahir, Muhammad Khalid
Topics & Concepts
ChemistryNatural bond orbitalHydrogen bondHydrateSalt (chemistry)Reactivity (psychology)Crystal (programming language)Ionic bondingCrystallographyStackingCrystal structureMethanolComputational chemistryDensity functional theoryPhysical chemistryMoleculeOrganic chemistryIonComputer scienceProgramming languageMedicinePathologyAlternative medicineCrystallography and molecular interactionsCrystal structures of chemical compoundsPhenothiazines and Benzothiazines Synthesis and Activities