4-Amino-3,5-dichloro-benzene-sulfonamide
Xiu-Ying Qin1, Han-Fu Liu, Jia-Xun Lin
1College of Pharmacy, Guilin Medical University, Guilin, Guangxi 541004, People's Republic of China.
Summary
This study details the crystal structure of a novel sulfonamide compound, C(6)H(6)Cl(2)N(2)O(2)S. The research highlights specific molecular arrangements, hydrogen bonding, and intermolecular interactions within its three-dimensional crystal lattice.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic compounds is crucial for predicting their properties.
- Sulfonamide derivatives are important in medicinal chemistry and materials science.
- Detailed structural analysis provides insights into intermolecular forces that govern crystal packing.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(6)H(6)Cl(2)N(2)O(2)S.
- To characterize the intermolecular interactions, including hydrogen bonding and π-π stacking, within the crystal lattice.
- To provide a foundation for further studies on the physical and chemical properties of this sulfonamide.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts (hydrogen bonds, van der Waals forces).
- Identification of specific interactions such as N-H⋯Cl, N-H⋯O hydrogen bonds, and π-π stacking.
Main Results:
- The crystal structure of C(6)H(6)Cl(2)N(2)O(2)S was successfully determined.
- The oxygen atoms of the sulfonamide group and the amino group are positioned on opposite sides of the benzene ring.
- Intermolecular N-H⋯Cl interactions and N-H⋯O hydrogen bonds were observed, forming a 3D network.
- π-π stacking interactions with a centroid-centroid distance of 3.7903(12) Å and a short Cl⋯Cl contact of 3.3177(10) Å were identified.
Conclusions:
- The crystal structure reveals a specific spatial arrangement of functional groups and significant intermolecular interactions.
- The observed hydrogen bonding and π-π stacking play a key role in stabilizing the three-dimensional crystal architecture.
- This structural characterization provides essential data for understanding the solid-state behavior and potential applications of this compound.
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