Structural investigation of (2E)-2-(ethoxycarbonyl)-3-[(4-methoxyphenyl)amino]prop-2-enoic acid: X-ray crystal structure, spectroscopy and DFT

Perumal Venkatesan, Venkatachalam Rajakannan, Natarajan S. Venkataramanan, Andivelu Ilangovan, Tom Sundius, Subbiah Thamotharan

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Molecular Structure
Volume1119
Pages (from-to)259-268
Number of pages10
ISSN0022-2860
DOIs
Publication statusPublished - 5 Sept 2016
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Malonic acid half-ester
  • Hirshfeld surface
  • Intermolecular interactions
  • PIXEL
  • HOMO-LUMO
  • INTERMOLECULAR INTERACTION ENERGIES
  • DIRECT NUMERICAL-INTEGRATION
  • MOLECULAR-CRYSTALS
  • NONCOVALENT INTERACTIONS
  • ELECTRON-DENSITIES
  • HIRSHFELD SURFACES
  • HALF ESTERS
  • DESYMMETRIZATION
  • PARAMETRIZATION
  • FUNCTIONALS
  • 116 Chemical sciences
  • 114 Physical sciences

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