Ethyl 3-(4-methyl-benzyl-idene)carbazate
Summary
Two similar molecules of C(11)H(14)N(2)O(2) were identified in the crystal structure. These molecules form hydrogen bonds, creating chains along a specific crystallographic direction.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding molecular conformations and intermolecular interactions is crucial in crystal engineering.
- Hydrogen bonding plays a significant role in dictating crystal packing and material properties.
Purpose of the Study:
- To determine the crystal structure of the title compound, C(11)H(14)N(2)O(2).
- To investigate the conformational characteristics of the molecules in the asymmetric unit.
- To analyze the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the three-dimensional crystal structure.
- Analysis of the crystal structure revealed the presence of two unique molecules in the asymmetric unit.
- Hydrogen bonding networks and chain formation were identified through crystallographic analysis.
Main Results:
- The asymmetric unit contains two C(11)H(14)N(2)O(2) molecules with closely related conformations.
- Intermolecular N-H⋯O hydrogen bonds were observed between these molecules.
- These hydrogen bonds lead to the formation of C(4) chains propagating along the [001] direction.
Conclusions:
- The crystal structure of C(11)H(14)N(2)O(2) is characterized by the presence of two similar conformers.
- The identified hydrogen bonding pattern dictates the supramolecular architecture, forming extended chains.
- This structural information provides insights into the solid-state behavior and potential applications of the compound.
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