Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 2873-97-4, Name is N-(2-Methyl-4-oxopentan-2-yl)acrylamide, molecular formula is , belongs to Triazoles compound. In a document, author is Boraei, Ahmed T. A., HPLC of Formula: C9H15NO2.
Synthesis, X-ray structure, tautomerism aspect, and chemical insight of the 3-(1H-Indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
The 3-(1H-indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol 2 was obtained exclusively in the enol configuration starting from triazolyl-indole derivative 1 and alkyl halo-esters in the presence of K2CO3. Chemical structure elucidations with the aid of physicochemical characterizations were used to predict its molecular structure while single crystal X-ray diffraction technique was used to shed the light on the supramolecular structure of 2. DFT calculations agreed very well with the reported X-ray structure where the most stable form thermodynamically is the enol form. Its optimized geometry agreed very well with the experimental structure where the correlation coefficients between the calculated and experimental geometric parameters are very close to 1. Using Hirshfeld analysis, the most significant intermolecular contacts are the N center dot center dot center dot H, H center dot center dot center dot C(pi), O center dot center dot center dot H, S center dot center dot center dot H and C center dot center dot center dot C contacts. (C) 2020 Elsevier B.V. All rights reserved.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 2873-97-4, in my other articles. HPLC of Formula: C9H15NO2.