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. 144750-52-7, Name is Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate hydrochloride, molecular formula is , belongs to pyridine-derivatives compound. In a document, author is Popa, Marcel Mirel, HPLC of Formula: C16H17Cl2NO2S.
Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution C-13-NMR spectroscopy
X-ray crystallography revealed the presence of halogen bonding in the crystal supramolecular structure of three highly substituted 1-arylpyrazoles. However the compounds 1-3 present different halogen bonding motifs that feature C-I center dot center dot center dot N (1), C-I center dot center dot center dot O (2) and C-I center dot center dot center dot pi (3) contacts respectively. The magnitudes of the sigma-hole corresponding to the iodine atom in the 5-iodo-1-arylpyrazoles 1-3 were calculated by DFT methods and the importance of halogen bonding as a significant stabilizing force within the crystal lattice was evaluated. The halogen bonding of 1-aryl-5-iodopyrazoles with several Lewis bases (Et3N, pyridine, DABCO or DMSO) was investigated by C-13 NMR spectroscopy in the solution phase to confirm the halogen bonding affinity of the iodine atom. The most suitable reporting atom for the formation of the halogen bond is C-5 of the pyrazole ring, which is directly bonded to the iodine atom. The C-5 atom is significantly deshielded by as much as 6-7 ppm upon interaction with the Lewis bases in solution revealing the strong halogen bonding character of the iodine atom attached to C-5 of the pyrazole ring.
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Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem