Unknown

Dataset Information

0

Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetra-aza-tri-cyclo[4.3.1.13,8]undecane (TATU) and 4-chloro-3,5-dimethyl-phenol.


ABSTRACT: Solvent-free treatment of 1,3,6,8-tetra-aza-tri-cyclo-[4.3.1.13,8]undecano (TATU) with 4-chloro-3,5-di-methyl-phenol led to the formation of the title co-crystal, C7H14N4·2C8H9ClO. The asymmetric unit contains one aminal cage mol-ecule and two phenol mol-ecules linked via two O-H?N hydrogen bonds. In the aminal cage, the N-CH2-CH2-N unit is slightly distorted from a syn periplanar geometry. Aromatic ?-? stacking between the benzene rings from two different neighbouring phenol mol-ecules [centroid-centroid distance = 4.0570?(11)?Å] consolidates the crystal packing.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC5095854 | BioStudies | 2016-01-01

REPOSITORIES: biostudies

Similar Datasets

1000-01-01 | S-EPMC5095853 | BioStudies
1000-01-01 | S-EPMC4518940 | BioStudies
1000-01-01 | S-EPMC4420134 | BioStudies
1000-01-01 | S-EPMC5683492 | BioStudies
1000-01-01 | S-EPMC4645038 | BioStudies
1000-01-01 | S-EPMC4438823 | BioStudies
1000-01-01 | S-EPMC4518954 | BioStudies
1000-01-01 | S-EPMC3684915 | BioStudies
1000-01-01 | S-EPMC4719939 | BioStudies
1000-01-01 | S-EPMC3588846 | BioStudies