The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 81-48-1, Name is 1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione, molecular formula is C21H15NO3, belongs to phthalazine compound. In a document, author is Majoumo-Mbe, Felicite, introduce the new discover, COA of Formula: https://www.ambeed.com/products/81-48-1.html.
The title compound, C14H12N4S, was synthesized by the condensation reaction of hydralazine and 2-acetylthiophene and during the reaction, a proton transfer from the imino nitrogen atom to one of the endocylic nitrogen atoms occurred. The compound crystallizes in the monoclinic crystal system with two independent molecules (molecules 1 and 2) in the asymmetric unit. In each molecule, there is a slight difference in the orientation of the thiophene ring with respect to phthalazine ring system, molecule 1 showing a dihedral angle of 42.51 (1)degrees compared to 8.48 (1)degrees in molecule 2. This implies an r.m.s deviation of 0.428 (1) angstrom between the two molecules for the 19 non-H atoms. The two independent molecules are connected via two N-H center dot center dot center dot N hydrogen bonds, forming dimers which interact by two bifurcated pi-pi stacking interactions to build tetrameric motifs. The latter are packed in the ac plane via weak C-H center dot center dot center dot pi interactions and along the b axis via C-H center dot center dot center dot N and C-H center dot center dot center dot pi interactions. This results a three-dimensional architecture with a tilted herringbone packing mode.
But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 81-48-1, you can contact me at any time and look forward to more communication. COA of Formula: https://www.ambeed.com/products/81-48-1.html.
Reference:
Phthalazine – Wikipedia,
,Phthalazine | C8H6N2 – PubChem