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Published on: January 19, 2016
4-Cyano-benzaldehyde thio-semi-carbazone
De-Hong Wu1, You-Hong Zhang, Zhu-Feng Li
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
This study details the crystal structure of a C(9)H(8)N(4)S compound, revealing specific molecular configurations and intermolecular interactions. The findings highlight the formation of molecular chains through hydrogen bonding in the solid state.
Area of Science:
- Crystallography
- Chemical Structure Analysis
- Organic Chemistry
Background:
- Understanding molecular structure and intermolecular forces is crucial in chemistry.
- Crystal engineering relies on predicting and controlling solid-state structures.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(9)H(8)N(4)S.
- To characterize the molecular geometry and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The molecule adopts an E configuration around the C=N and C-NH bonds.
- Intermolecular N-H⋯S hydrogen bonds link adjacent molecules.
- These interactions lead to the formation of chains parallel to the b axis.
Conclusions:
- The study provides a detailed structural description of the C(9)H(8)N(4)S compound.
- The identified hydrogen bonding pattern is key to the observed crystal packing.
- This structural information can inform future material design and synthesis.
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