Crystal structure, Hirshfeld surface analysis and computational study of a rhodamine B-salicyl-aldehyde Schiff base derivative.

ABSTRACT: The mol-ecular structure of the title compound {systematic name: 3',6'-bis(di-ethyl-amino)-2-[(2-hy-droxy-benzyl-idene)amino]-spiro-[isoindoline-1,9'-xan-then]-3-one}, C₃₅H₃₆N₄O₃ or RbSa, can be seen as being composed of two parts sharing a central quaternary carbon atom. Both the xanthene and iso-indole moieties are nearly planar: 14 atoms in the former moiety show an r.m.s. deviation of 0.0411 Å and eleven atoms in the latter moiety show an r.m.s. deviation of 0.0545 Å. These two planes are almost perpendicular to each other, the angle between the mean planes being 87.71 (2)°. The title compound appears to be in its enol form. The corresponding H atom was located and freely refined at a distance of 1.02 (3) Å from the O atom and 1.72 (2) Å from

SUBMITTER: Suramitr S 

PROVIDER: S-EPMC7336787 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature