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Updated: Jun 1, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
4-Nitro-N-(4-pyridinio)benzene-sulfonamidate monohydrate
Summary
This study reveals the zwitterionic structure of a novel compound in its solid state. Crystal analysis highlights specific hydrogen bonding interactions and ring orientations, crucial for understanding its chemical properties.
Area of Science:
- Crystallography
- Chemical Physics
- Solid-State Chemistry
Background:
- Understanding the solid-state behavior of organic compounds is essential for predicting their physical and chemical properties.
- Zwitterionic compounds, possessing both positive and negative charges, exhibit unique structural and reactivity characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(9)N(3)O(4)S·H(2)O.
- To investigate the intermolecular interactions, including hydrogen bonding, that stabilize the crystal lattice.
- To determine the spatial arrangement of the aromatic rings within the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and intermolecular distances.
- Hydrogen bond network analysis.
Main Results:
- The compound crystallizes as a hydrate with the formula C(11)H(9)N(3)O(4)S·H(2)O.
- A zwitterionic structure was confirmed in the solid state, with distinct acid and base centers.
- The dihedral angle between the benzene and pyridinium rings was measured at 109.1°.
- The crystal structure is significantly stabilized by a network of O-H⋯N, O-H⋯O, and N-H⋯O hydrogen bonds.
Conclusions:
- The solid-state structure of the title compound is characterized by a zwitterionic form stabilized by extensive hydrogen bonding.
- The observed ring orientation and hydrogen bond network provide insights into the molecular packing and potential intermolecular interactions.
- This structural information is fundamental for further studies on the compound's reactivity and applications.
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