N,N'-Bis(1-ethynylcyclo-hexyl)-pyro-mellitic diimide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the precise arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Symmetrical molecules often exhibit unique packing arrangements in the solid state.
• Intermolecular interactions play a significant role in crystal engineering and material design.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(26)H(24)N(2)O(4).
• To characterize the bond distances and intermolecular interactions within the crystal lattice.
• To provide a detailed structural analysis of this symmetrical molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Crystallographic data were collected and analyzed to identify atomic positions and bond parameters.
• Intermolecular contacts were analyzed using standard crystallographic methods.

Main Results:

• The title compound, C(26)H(24)N(2)O(4), crystallizes with a symmetrical molecular structure centered on an inversion center.
• The carbon-carbon triple bond distance was measured to be 1.188(2) Å.
• A significant intermolecular C-H⋯O contact was observed between a terminal acetylene C-H group and a dimide oxygen atom, with a distance of 3.4349(19) Å.

Conclusions:

• The crystal structure of C(26)H(24)N(2)O(4) reveals a highly symmetrical arrangement.
• The identified intermolecular C-H⋯O interaction is a key feature influencing the crystal packing.
• This detailed structural information contributes to the understanding of organic crystal structures and intermolecular forces.