Single crystal structure, Hirshfeld surface analysis and DFT studies on 2‑bromo-4‑chloro-6-[(2‑hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

Keyphrases

• Lewis Structures 100%
• DFT Study 100%
• Hirshfeld Surface Analysis 100%
• Single Crystal Structure 100%
• UV-visible 100%
• IR Rays 100%
• Cyclohexa-2,4-dienones 100%
• Methylidene 100%
• X-ray Diffraction Method 50%
• UV-VIS Spectroscopy 50%
• Natural Bond Orbital 50%
• Nonlinear Optical Properties 50%
• DFT Method 50%
• Time-dependent Density Functional Theory 50%
• Hydrogen Bonding Interaction 50%
• Monoclinic Crystal System 50%
• Chemical Formula 50%
• Molecular Systems 50%
• Weak Interactions 50%
• X-ray 50%
• Crystal Geometry 50%
• Property Study 50%
• Single Crystal X-ray Diffraction (SCXRD) 50%
• Linear Optical Properties 50%
• Keto-amine 50%
• X-ray Data 50%

Chemistry

• Single Crystalline Solid 100%
• Crystal Structure 100%
• Surface Analysis 100%
• Hirshfeld Surface 100%
• Density Functional Theory 100%
• Space Group 33%
• Time-Dependent Density Functional Theory 33%
• Nonlinear Optical Property 33%
• Single Crystal X-Ray Diffraction 33%
• Natural Bond Orbital 33%
• Monoclinic Space Group 33%
• Chemical Formula 33%
• Hydrogen Bond 33%