Dimethyl 2,2-bis-(2-cyano-ethyl)malonate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding molecular interactions is crucial for designing new materials.
• Crystal structure analysis provides fundamental insights into chemical bonding and assembly.
• The compound C(11)H(14)N(2)O(4) was synthesized and characterized.

Purpose of the Study:

• To determine the crystal structure of C(11)H(14)N(2)O(4).
• To investigate the intermolecular interactions governing the self-assembly of the compound.
• To elucidate the supramolecular architecture formed by the molecules.

Main Methods:

• Single-crystal X-ray diffraction was employed to analyze the crystal structure.
• The crystallographic data was processed to determine atomic positions and bond lengths.
• Structural analysis focused on identifying hydrogen bonding networks and symmetry elements.

Main Results:

• The asymmetric unit contains one half-molecule of C(11)H(14)N(2)O(4).
• A twofold rotation axis bisects the central carbon atom, defining the molecular symmetry.
• Intermolecular C-H⋯N hydrogen bonds were identified as the primary driving force for self-assembly.

Conclusions:

• The crystal structure of C(11)H(14)N(2)O(4) exhibits a specific molecular conformation.
• The compound self-assembles into a one-dimensional supramolecular structure.
• Hydrogen bonding plays a critical role in the observed one-dimensional arrangement.