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Related Experiment Videos

4-Nitro-1-(trimethylsilylethynyl)benzene

J G Garcia1, B Asfaw, A Rodriguez

  • 1Department of Chemistry, Clark Atlanta University, Atlanta, GA 30314, USA. ggarcia@oberon.cmc.uab.edu

Acta Crystallographica. Section C, Crystal Structure Communications
|May 30, 1998
PubMed
Summary

This study details the molecular structure of C11H13NO2Si, focusing on its unique symmetry and precise bond measurements. Key findings include the near-linear geometry around the carbon-carbon triple bond and specific silicon-carbon bond lengths.

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Area of Science:

  • Organosilicon Chemistry
  • Crystallography
  • Molecular Structure Analysis

Background:

  • Understanding the precise three-dimensional arrangement of atoms in molecules is crucial for predicting chemical behavior.
  • Silicon-containing organic compounds offer unique properties due to silicon's distinct bonding characteristics compared to carbon.

Purpose of the Study:

  • To elucidate the detailed molecular geometry and bonding parameters of the title molecule, C11H13NO2Si.
  • To analyze the symmetry elements and specific bond lengths and angles within the molecule.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular structure.
  • Analysis of crystallographic data provided precise measurements of bond lengths and angles.

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Main Results:

  • The molecule C11H13NO2Si exhibits near-planar symmetry, with one methyl group deviating from the plane.
  • The carbon-carbon triple bond length was measured at 1.199 (4) Å.
  • Si-Csp3 bond lengths were found to be 1.831 (4) Å and 1.838 (3) Å, with a Si-Csp bond length of 1.839 (3) Å.
  • Bond angles around the triple bond (Si-C≡C and C≡C-C(Ar)) are nearly linear, measuring 177.9 (3)° and 178.0 (3)°, respectively.

Conclusions:

  • The structural analysis confirms the predicted near-linear geometry associated with the carbon-carbon triple bond in this organosilicon compound.
  • The precise bond parameters provide valuable data for computational modeling and understanding structure-property relationships in related molecules.