Computational and experimental studies of acetoacetanilide crystals
K. Senthil Kannan, K. Venkatachalam, P. Thamarikannan, V. Kalaipoonguzhali, S. Kannan, M. Jothibas
Abstract
Acetoacetanilide (AACE) crystals are of NLO type and are having extensive range of employing in opto- electronic and frequency doubling and which have Empirical formula as C10H11NO2, Crystal system is orthorhombic, Space group of AACE is P212121 and pattern considerations are a=8.68Å, b=11.06Å, c=19.25Å, α=β=γ=90° and crystallite size is 0.25*0.15*0.16 mm3. As the crystals of Acetoacetanilide are of NLO of the second order, it can be used for bio applications and here used for anti-diabetic activities experimentally, Energies, Potential by DFT and reported.
Topics & Concepts
Orthorhombic crystal systemCrystalliteCrystal (programming language)CrystallographyMaterials scienceCondensed matter physicsCrystal structureChemistryComputer sciencePhysicsProgramming languageNonlinear Optical Materials ResearchCrystallography and molecular interactionsAnalytical Chemistry and Chromatography