1584300-16-2

Upstream product

• 1637325-42-8 C₂₆H₂₆N₄O₆ 
• 94-09-7 p-aminoethylbenzoate 
• 104-49-4 1,4-diisocyanatobenzene 

Downstream Products

• 1584812-46-3 4,4'-(((1,4-phenylenebis(ethylazanediyl))bis(carbonyl))bis-(ethylazanediyl))bis(N-methylbenzamide) 

Relevant academic research and scientific papers

Crystal structures of S-shaped phenylenediurea dibenzoic acids and their cocrystals with melamine: Unusual zigzag tape of H-bonded melamine network

Phenylenediurea dibenzoic acid derivatives 1, 2, 3, and 5 and an amide derivative 4 were synthesized, and their molecular structures were elucidated to be an S-shape by single crystal X-ray analysis. Crystals of 1 were obtained as a DMF solvate, while those of 2 and 3 were not. Sheet and ladder structures were created in the crystal packing of 1 and 3, and 2, respectively. Unlike the para-substituted diureas 1-3 which possessed meso-conformation, the meta-substituted diurea 5 exhibited helical-conformation in its crystal structure. The way of crystal packing of 4 is analogous to that of the corresponding dicarboxylic acid derivative 2. A water cluster of a chair-shaped hexagonal array of water molecules was created in the crystal structure of 4. Diureas 1 and 2 gave cocrystals with melamine recrystallized from DMF/ethyl acetate and DMF/H2O, respectively. Unusual zigzag tapes of a H-bonding network of melamine were created in both cocrystals. The zigzag tapes were connected with S-shaped diureas by H-bonding to furnish an interpenetrated fishnet-type crystal structure.