Structural analysis of bis-bispidine tetraazamacrocycle: Long-range weak interactions in a channeled organic crystal

• Tetraethoxy bis-bispidine macrocycles stack to form channels in the solid state.
• This is the first of bis-bispidine compounds to exhibit tubular self-assembly.
• An unusual 3D orthogonal matrix has been observed in the crystal structure.
• Long-range weak CH⋯O and NC⋯OC interactions direct molecular alignment.

A new organic crystal containing one-dimensional channels has been obtained through the synthesis and self-assembly of tetraethoxy bis-bispidine tetraazamacrocycles. The pre-fabricated macrocyclic cavities stack on each other to form ordered channels with highly basic inner cores. Based on the data of the single crystal structure, analysis of a 3D matrix indicates that weak directional interactions such as long-range CH⋯O hydrogen bonds and NC⋯OC dipole–dipole interactions play an important role in the molecular alignment.

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