Crystal structure and Hirshfeld analysis of di-tert-butyl 2,2'-[(ethyl-aza-nedi-yl)bis-(methyl-ene)]bis-(1H-pyrrole-1-carboxyl-ate).

ABSTRACT: The title compound, C₂₂H₃₃N₃O₄, crystallizes in the triclinic space group P with two mol-ecules in a unit cell. The two pyrrole rings are essentially planar (r.m.s. deviation = 0.002 Å) and they form a dihedral angle of 81.24 (10)° with each other. The crystal packing is stabilized by C-H⋯π inter-actions and π-π stacking inter-actions, forming a three-dimensional network. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that the most important contributions for the crystal packing are from H⋯H (74.3%), C⋯H/H⋯C (11.5%) and O⋯H/H⋯O (9.1%) contacts.

SUBMITTER: Kvyatkovskaya EA 

PROVIDER: S-EPMC7784644 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature