Category: esters-buliding-blocksIn 2022 ,《Investigation of solid state architectures in tetrazolyl tryptophol stabilized by crucial aromatic interactions and hydrogen bonding: Experimental and theoretical analysis》 was published in Journal of Molecular Structure. The article was written by Ibrar, Aliya; Zaib, Sumera; Hokelek, Tuncer; Simpson, Jim; McAdam, Christopher John; El Azab, Islam H.; Mersal, Gaber A. M.; Ibrahim, Mohamed M.; Frontera, Antonio; Khan, Imtiaz. The article contains the following contents:
The present study reports the synthesis of a new nitrogen rich hybrid compound namely tetrazolyl tryptophol 6 achieved through a multistep synthetic approach. The structure of the target tetrazole-indole hybrid was established using FTIR, 1H- and 13C NMR, HRMS, and X-ray diffraction data. Investigation of solid state architectures in tetrazolyl tryptophol revealed that an intramol. N5-H5N…N4 hydrogen bond links the 5-membered ring of the indole to the tetrazole ring. The O1-H1O… N3 and N1-H1N…O1 hydrogen bonds and π…π contacts also emerged as crucial contributors in the formation of supramol. topol. of tetrazole-indole hybrid. Numerous centroid to centroid contacts involving the aromatic rings of both the indole ring system and the tetrazole ring link adjacent mols. in an obverse face-to-face fashion. Hirshfeld surface anal. further revealed the prevailing significance of π…π and H-bonding contacts. The mech. stability of the crystal packing through crystal voids anal. and intermol. interaction energies were also calculated Finally, DFT calculations were performed to evaluate the hydrogen bonding and π…π stacking contacts with their rationalization and characterization using MEP surfaces, QTAIM and NCIPlot anal.Ethyl oxalyl monochloride(cas: 4755-77-5Category: esters-buliding-blocks) was used in this study.
Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Category: esters-buliding-blocks
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics