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Title: Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate

Abstract

The title compound, C{sub 22}H{sub 23}N{sub 2}BrO{sub 2} was synthesized via one-pot reductive cyclization method and characterized by CNH analysis, FT-IR, UV-visible, mass, {sup 1}H and {sup 13}C NMR spectra, thermogravimetric analysis (TGA) and single crystal X-ray diffraction method. The compound crystallizes in monoclinic crystal system: sp. gr. P2{sub 1}/c, Z = 4. The crystal data reveals that the intermolecular interactions of the C–H···π and π···π type connect the molecules which was also visualized with the help of Hirshfeld surface analysis.

Authors:
;  [1];  [2];  [3]
  1. Mangalore University, Department of Studies in Chemistry (India)
  2. Mangalore University, PURSE Laboratory (India)
  3. Mangalore University, Department of Materials Science (India)
Publication Date:
OSTI Identifier:
22758220
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 63; Journal Issue: 4; Other Information: Copyright (c) 2018 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBON 13; CYCLIZATION; DIFFRACTION METHODS; FOURIER TRANSFORM SPECTROMETERS; HYDROGEN 1; IMIDAZOLES; INFRARED SPECTRA; MOLECULES; MONOCLINIC LATTICES; MONOCRYSTALS; NUCLEAR MAGNETIC RESONANCE; SURFACES; SYNTHESIS; THERMAL GRAVIMETRIC ANALYSIS; ULTRAVIOLET SPECTRA; X-RAY DIFFRACTION

Citation Formats

Nikil, P., Poojary, Boja, Kumar, S. Madan, and Byrappa, K. Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate. United States: N. p., 2018. Web. doi:10.1134/S1063774518040193.
Nikil, P., Poojary, Boja, Kumar, S. Madan, & Byrappa, K. Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate. United States. doi:10.1134/S1063774518040193.
Nikil, P., Poojary, Boja, Kumar, S. Madan, and Byrappa, K. Sun . "Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate". United States. doi:10.1134/S1063774518040193.
@article{osti_22758220,
title = {Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate},
author = {Nikil, P. and Poojary, Boja and Kumar, S. Madan and Byrappa, K.},
abstractNote = {The title compound, C{sub 22}H{sub 23}N{sub 2}BrO{sub 2} was synthesized via one-pot reductive cyclization method and characterized by CNH analysis, FT-IR, UV-visible, mass, {sup 1}H and {sup 13}C NMR spectra, thermogravimetric analysis (TGA) and single crystal X-ray diffraction method. The compound crystallizes in monoclinic crystal system: sp. gr. P2{sub 1}/c, Z = 4. The crystal data reveals that the intermolecular interactions of the C–H···π and π···π type connect the molecules which was also visualized with the help of Hirshfeld surface analysis.},
doi = {10.1134/S1063774518040193},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 4,
volume = 63,
place = {United States},
year = {2018},
month = {7}
}