Synthesis and Characterization of Novel Compound

Na₂CO₃, NaCl, and 20% HCl were obtained from Fluka, while 4-nitrobenzene sulfonyl chloride and 4-hydroxyproline were obtained from Sigma Aldrich (Bristol Scientific Nigeria). IR spectra were recorded on Bruker FT-IR spectrophotometer. The NMR peaks were recorded on Bruker DPX 300 spectrophotometer with ¹H at 400 MHz and 13 ℃ at 100 MHz. Chemical shifts δ are given in ppm and referenced to tetramethylsilane. Methanol was used as a solvent for crystallization. X-ray data of the single crystal were collected on an XtaLAB Synergy, Dualflex, Pilatus 200 K diffractometer using CuKα radiation at 105.4 (7)K. The pharmacokinetic properties were studied using SwissADME free online tool (https://www.swissadme.ch), while the Molecular docking was carried out using the Molecular operating environment (MOE) (AutoDock Vina, BIOVIA).

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Ugwu D.I., Eze F.U., Ezeorah C.J., Rhyman L., Ramasami P., Tania G., Eze C.C., Uzoewulu C.P., Ogboo B.C, & Okpareke O.C. (2023). Synthesis, Structure, Hirshfeld Surface Analysis, Non-Covalent Interaction, and In Silico Studies of 4-Hydroxy-1-[(4-Nitrophenyl)Sulfonyl]Pyrrolidine-2-Carboxyllic Acid. Journal of Chemical Crystallography.

Publication 2023

4-nitrobenzene sulfonyl chloride 4-hydroxyproline FT-IR spectrophotometer DPX 300 spectrophotometer

4 hydroxyproline Crystallization Ir spectra Methanol Nacl Nitrobenzene Radiation Solvent Sulfonyl chloride Tetramethylsilane X ray

Corresponding Organization : North Carolina State University

Other organizations : University of South Carolina, University of Johannesburg, University of Mauritius, University of Auckland, University at Buffalo, State University of New York

Top 5 similar protocols

Variable analysis

independent variables

Na2CO3
20% HCl
4-nitrobenzene sulfonyl chloride
4-hydroxyproline

dependent variables

IR spectra
NMR peaks
Chemical shifts
X-ray data of the single crystal
Pharmacokinetic properties
Molecular docking

control variables

Methanol (used as a solvent for crystallization)
Bruker FT-IR spectrophotometer
Bruker DPX 300 spectrophotometer (1H at 400 MHz, 13C at 100 MHz)
XtaLAB Synergy, Dualflex, Pilatus 200 K diffractometer (CuKα radiation at 105.4 (7)K)
SwissADME free online tool
Molecular operating environment (MOE) (AutoDock Vina, BIOVIA)

controls

No positive or negative controls were explicitly mentioned.

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