4-Chlorobenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4] pyrrole
Date issued
2012
In
Acta Crystallogr., Sect. E Struct. Rep. Online
Vol
4
No
68
From page
o976
To page
o977
Subjects
Acylation (acylation of octamethylcalix[2]pyrrolidino[2]pyrrole using chlorobenzoyl chloride and potassium carbonate in THF/acetonitrile) Hydrogen bond (in chlorobenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole crystals) Crystal structure Molecular structure (of chlorobenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole) Hydrogen bond (weak in chlorobenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole crystals) mol structure chlorobenzoyl methylcalixpyrrolidinopyrrole crystal structure chlorobenzoyl methylcalixpyrrolidinopyrrole hydrogen bond chlorobenzoyloctamethylcalixpyrrolidinopyrrole
Abstract
In the title compd., C35H47ClN4O, the two pyrrolidine rings have envelope conformations. The conformation of the macrocycle is stabilized by N-H···N H bonds and a C-H···N interaction. The benzoyl ring is inclined to the adjacent pyrrole ring by 11.66(11)°, with a centroid-centroid distance of 3.7488(13) Å. In the crystal, mols. are linked by N-H···O H bonds into helical chains propagating in [010] and C-H···O and C-H···? interactions are also obsd. [on SciFinder(R)]
Publication type
journal article