Crystal and molecular structure of 2-chloro-4-methyl-6-[[(4-)2,2,6,6,-tetramethylpiperidinyl]amino]-3-pyridinecarbonitrile hydrochloride

Abstract

The compound C₁₆H₂₄N₄Cl₂ crystallizes in the monoclinic space groupP2 ₁/c witha=16.299(2),b=7.801(1),c=14.780(2) Å,β=109.89(1)° andZ=4. The structure was determined by direct methods, and refined by full-matrix least squares toR=0.046 andR _w=0.050 for 2309 reflections. The resulting structure permitted the determination of the main direction of substitution during the synthesis of this compound, and correction of a previously postulated formulae of the dyes formed. The influence of salt formation on the protonation of the N atom and on the formation of hydrogen bonds is analyzed. The influence of substituents on the geometry of pyridine and piperidine ring is discussed.