Crystal Structure and Hirshfeld Surface Analysis of 3-(pyrrolidine-1-carbonyl)-2H-Chromen-2-One.

Autor: Odame, F., Madanhire, T., Hosten, E. C.
Předmět:
Zdroj: Journal of Structural Chemistry; Jul2024, Vol. 65 Issue 7, p1305-1316, 12p
Abstrakt: The crystal X-ray structure of 3-(pyrrolidine-1-carbonyl)-2H-chromen-2-one (1) has been presented. The compound crystallizes in the triclinic space group with two molecules in the unit cell characterized by unit cell parameters a = 7.8547(5) Å, b = 9.0159(5) Å, c = 9.1516(5) Ǻ, α = 76.623(2)°, β = 89.546(3)° and γ = 67.626(2)°. The experimental bond lengths and bond angles have been compared with DFT computed results. The Hirshfeld surface analysis of the compound has been presented. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index