Synthesis, crystal structure, hydrogen bonding interactions analysis of novel acyl thiourea derivative

Abstract

The N-(p-methoxybenzoyl)-N 0 -(2,4-dinitrophenyl amino)thiourea has been synthesized and characterized by FT-IR, 1 H NMR, and elemental analyses techniques. Also, its molecular structure was determined by single-crystal Xray diffraction. It revealed that the title compound crystallizes with two unique molecules in the asymmetric unit of the orthorhombic unit cell, space groupPna2 (1) with a = 18.857(5) Å, b = 8.148(2) Å, c = 22.443(6) Å, β = 90.00 , C 15 H 13 N 5 O 6 S, M r = 391.36, V = 3448.2(15) Å 3 , Z = 8, D c = 1.508 gÁcm −1 , F(000) = 1616, μ = 0.233 mm −1 , S = 1.06, the final R = 0.0626, and wR (I > 2(I)) = 0.1392.

Self-Assembled Nanodot Actuator with Changeable Fluorescence by π–π Stacking Force Based on a Four-Armed Foldable Phthalocyanine Molecule and Its Supersensitive Molecular Recognition

“…Noncovalent interaction (NCI) analysis is widely applied to visually analyze the type, regions, and intensity of the NCI in a chemical system. , Thus, NCI analysis was carried out to identify the weak intramolecular interactions of ZnPc-NA and ZnPc-NA-Thx (Figure e and f and Figure S13). The values of sign­(λ 2 )­ρ, colors on the RDG plots, and gradient isosurface structure were used to distinguish the type of weak interaction.…”