1,4-Bis(4-pyridylsulfanylmeth-yl)benzene

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular structure and intermolecular forces is crucial in chemistry.
• Crystal structure analysis provides insights into molecular arrangement and interactions.
• Organic sulfur and nitrogen compounds have diverse applications.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(18)H(16)N(2)S(2).
• To investigate the molecular geometry and intermolecular interactions within the crystal lattice.
• To characterize the spatial arrangement of mercaptopyridyl groups and the benzene core.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Crystallographic data were analyzed to identify symmetry elements and bond parameters.
• Intermolecular interactions, such as C-H⋯π and C-H⋯N bonds, were examined.

Main Results:

• The compound C(18)H(16)N(2)S(2) crystallizes with a central inversion center.
• The two 4-mercaptopyridyl groups exhibit an anti-conformation relative to the benzene ring.
• Dihedral angles between the benzene ring and pyridyl groups were measured at 55.4°.
• Crystal packing is stabilized by C-H⋯π and C-H⋯N intermolecular interactions.

Conclusions:

• The crystal structure of C(18)H(16)N(2)S(2) reveals a well-defined molecular architecture.
• The observed anti-geometry and intermolecular interactions dictate the solid-state packing.
• This structural information is valuable for understanding the properties and potential applications of related organic compounds.