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Updated: Jun 1, 2026
04:38
Preparation of Contiguous Bisaziridines for Regioselective Ring-Opening Reactions
Published on: July 28, 2022
Methyl 2-benzene-sulfonamido-benzoate
Summary
This study details the molecular structure of a novel organic compound, C(14)H(13)NO(4)S. Key findings include specific bond conformations and intermolecular interactions influencing crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details on molecular conformation and intermolecular forces.
Purpose of the Study:
- To elucidate the detailed molecular and crystal structure of the compound C(14)H(13)NO(4)S.
- To characterize the conformational preferences of the C-S-N-C segment and the relative orientation of benzene rings.
- To identify and describe intra-molecular and inter-molecular hydrogen bonding interactions.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
- Analysis of bond lengths, bond angles, and torsion angles to describe molecular conformation.
- Identification of hydrogen bonds and other non-covalent interactions within the crystal lattice.
Main Results:
- The title compound, C(14)H(13)NO(4)S, exhibits a gauche conformation in the C-S-N-C segment.
- The two benzene rings are tilted at an angle of 85.62(8)° relative to each other.
- An intra-molecular N-H⋯O hydrogen bond forms an S(6) ring, and a C-H⋯O interaction is also present.
- Inter-molecular C-H⋯O hydrogen bonds link molecules into [100] C(7) chains in the crystal.
Conclusions:
- The crystal structure of C(14)H(13)NO(4)S is characterized by specific conformational arrangements and hydrogen bonding networks.
- These interactions dictate the packing of molecules in the solid state, influencing bulk properties.
- The findings contribute to the understanding of structure-property relationships in organic sulfur- and nitrogen-containing compounds.
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