N-adamant-1-yl-N'-(2-iodophenyl)guanidinium chloride

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Guanidinium compounds exhibit diverse chemical properties.
• Adamantane derivatives are known for their unique structural rigidity.
• Halogenated phenyl groups can influence molecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of a novel guanidinium chloride derivative.
• To investigate the spatial arrangement of phenyl and adamantyl substituents.
• To understand the intermolecular interactions in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Data collection using Mo K alpha radiation.
• Structure solution and refinement using crystallographic software.

Main Results:

• The compound crystallizes in the monoclinic space group P2(1)/c.
• Unit cell parameters: a = 11.696(5), b = 20.120(4), c = 7.754(2) A, beta = 95.26(3) degrees.
• The phenyl and adamantyl groups adopt a syn conformation relative to the guanidinium core, with the phenyl ring nearly perpendicular to the guanidinium plane.

Conclusions:

• The crystal structure provides insights into the conformational preferences of substituted guanidinium ions.
• The findings contribute to the understanding of structure-property relationships in organic salts.
• This structural data can serve as a basis for designing related compounds with tailored properties.