Hirshfeld Surface Analysis and DFT Calculations of 2-Amino-N-(2-Fluorophenyl)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

Authors

  • Madhura TK  Department of Physics, Mount Carmel College, Autonomous, Bengaluru, Karnataka, India
  • Rajesh BM  Department of Physics, RV College of Engineering, Bengaluru, Karnataka, India
  • Chandra Kumar K  Department of Engineering, Physics HKBK College of Engineering, Bengaluru, Karnataka, India
  • Shubha S  Department of Physics, The National Institute of Engineering, Mysore, Karnataka, India
  • Chandra  

Keywords:

Hirshfeld, DFT and Thiophene

Abstract

Thiophene nucleus has been established as a potential entity in the heterocyclic compounds possessing promising pharmacological characteristics such as anti-HIV PR inhibitors and anti-breast cancer activities. Importantly, benzothiophene derivative shows significant antimicrobial and anti-inflammatory activities. The title compound, C15H15FN2OS was characterized by single-crystal X-ray diffraction studies. The molecular conformation is consolidated by intramolecular N-H

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International Journal of Scientific Research in Science and Technology

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Published

2021-01-20

Issue

Volume 8, Issue 2, January-February-2021

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Research Articles

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[1]
Madhura TK, Rajesh BM, Chandra Kumar K, Shubha S, Chandra "Hirshfeld Surface Analysis and DFT Calculations of 2-Amino-N-(2-Fluorophenyl)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide " International Journal of Scientific Research in Science and Technology(IJSRST), Online ISSN : 2395-602X, Print ISSN : 2395-6011,Volume 8, Issue 2, pp.138-148, January-February-2021.