Strong overcrowding in dimethyl 2-(dimethylamino)terephthalate.
The molecular structure of the title compound, C(12)H(15)NO(4), has several features related to steric hindrance due to the ester and dimethylamine groups being located ortho with respect to one another. In particular, the carbonyl group of the ester is not coplanar with the ring, the amine N atom is in a pyramidal arrangement [the N atom is 0.2161 (12) A from the three C atoms to which it is bonded] and the C atom of the adjacent ester group lies 0.3784 (14) A out of the plane of the aromatic ring. The deformations found in the X-ray structure have been confirmed by ab initio quantum mechanical calculations.
Centore
Roberto
R
Dipartimento di Chimica Paolo Corradini, Università degli Studi di Napoli Federico II, Complesso di Monte S. Angelo, Via Cinthia, 80126 Napoli, Italy. roberto.centore@unina.it
Fusco
Sandra
S
Peluso
Andrea
A
Carotenuto
Maurizio
M
Tuzi
Angela
A