Structural elucidation of 1:4:4 stochiometric form of thymine – gallic acid cocrystal hydrate: Hirshfeld surface analysis, 3D energy framework, DFT calculations, and SARS CoV-2 docking studies
Kanchi Lakshminarayanashetty Jyothi, M.K. Hema, Karthik Kumara, Tayur N. Guru Row, N.K. Lokanath
Topics & Concepts
ChemistryCocrystalHydrogen bondCrystallographyIntermolecular forceMoleculeHydrateCrystal structureThymineCrystal engineeringMonoclinic crystal systemSupramolecular chemistryComputational chemistryOrganic chemistryBiochemistryDNACrystallography and molecular interactionsNonlinear Optical Materials ResearchEnzyme Structure and Function