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

Journal Article · Sun Jul 15 00:00:00 EDT 2018 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774518040193· OSTI ID:22758220

Nikil, P.; Poojary, Boja ^[1]; Kumar, S. Madan ^[2]; Byrappa, K. ^[3]

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1. Mangalore University, Department of Studies in Chemistry (India)
2. Mangalore University, PURSE Laboratory (India)
3. Mangalore University, Department of Materials Science (India)

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.

• OSTI ID: 22758220
• Journal Information: Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 4 Vol. 63; ISSN CYSTE3; ISSN 1063-7745
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
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