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N-(4-Meth-oxy-benzo-yl)benzene-sulfon-amide
S Sreenivasa1, M S Nanjundaswamy2, S Madankumar3
1Department of Studies and Research in Chemistry, Tumkur University, Tumkur, Karnataka 572 103, India.
Acta Crystallographica. Section E, Structure Reports Online
|April 26, 2014
Summary
This study details the crystal structure of a novel organic compound, C14H13NO4S. Molecular interactions, including hydrogen bonds and C-H interactions, dictate its crystal packing into chains and sheets.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic compounds is crucial for predicting their properties.
- Crystal engineering aims to design materials with specific functionalities based on intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C14H13NO4S.
- To analyze the intermolecular interactions governing the compound's solid-state architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond distances, angles, and non-covalent interactions (hydrogen bonds, C-H···O, C-H···π) was performed.
Main Results:
- The crystal structure reveals a dihedral angle of 69.81° between aromatic rings.
- The S-N-C=O segment and sulfonyl benzene ring exhibit a dihedral angle of 74.91°.
- Molecules form C(4) chains via N-H···O hydrogen bonds, further assembling into sheets through C-H···O and C-H···π interactions.
Conclusions:
- The crystal packing of C14H13NO4S is dictated by a combination of hydrogen bonding and van der Waals forces.
- The observed supramolecular architecture, including chains and sheets, provides insights into the solid-state behavior of this organic compound.
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