N,N,N'-Tris[(1H-indol-3-yl)meth-yl]ethane-1,2-di-amine

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Indole ring systems are prevalent in many biologically active compounds and materials.

Purpose of the Study:

• To elucidate the crystal structure and molecular geometry of the compound C29H29N5.
• To investigate the intermolecular and intramolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular geometry.
• Identification of hydrogen bonding networks and their role in crystal packing.

Main Results:

• The indole ring systems within C29H29N5 were found to be nearly planar, with minor deviations.
• Specific dihedral angles between the indole ring planes were quantified, revealing their relative orientations.
• The crystal structure is characterized by inversion dimers formed through intermolecular N-H⋯N hydrogen bonds.
• An intramolecular N-H⋯N hydrogen bond was also identified within the molecule.

Conclusions:

• The molecular structure of C29H29N5 is well-defined, with specific geometric parameters established.
• Hydrogen bonding plays a significant role in the self-assembly and stabilization of the crystal structure.
• The detailed structural information can serve as a basis for further studies on structure-property relationships.