1,1'-Methyl-enedipyridinium dichloride monohydrate.

Area of Science:

• Crystallography
• Chemical Physics

Background:

• Understanding molecular interactions and crystal packing is crucial in solid-state chemistry.
• The specific arrangement of organic cations, anions, and solvent molecules dictates the overall crystal structure and properties.

Purpose of the Study:

• To elucidate the crystal structure of the title salt, C(11)H(12)N(2)·2Cl(-)·H(2)O.
• To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

• The dication C(11)H(12)N(2)(2+) exhibits a butterfly conformation with a dihedral angle of 69.0(1)° between the aromatic rings.
• A water molecule occupies a V-shaped cavity within the dication, with its O-H bonds oriented towards chloride anions.
• Hydrogen bonding interactions (O-H⋯Cl) were observed between the water molecule and chloride anions.

Conclusions:

• The crystal structure provides detailed insights into the packing and interactions in this organic salt.
• The specific arrangement highlights the role of the water molecule in stabilizing the crystal structure through hydrogen bonding.