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Related Experiment Video

Updated: Jul 4, 2026

Facile Preparation of 4-Substituted Quinazoline Derivatives
11:51

Facile Preparation of 4-Substituted Quinazoline Derivatives

Published on: February 15, 2016

4-iodoquinoline.

Latika Singh1, Shaikh M Mobin, Satya S Talwar

  • 1Department of Physics, Indian Institute of Technology, Powai, Mumbai 400 076, India.

Acta Crystallographica. Section C, Crystal Structure Communications
|June 7, 2008
PubMed
Summary
This summary is machine-generated.

Crystal structure analysis of C9H6IN reveals nearly planar molecules forming antiparallel zigzag chains. Key intermolecular N...I contacts and C-H...pi hydrogen bonds drive crystal packing and design.

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Published on: May 16, 2014

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Synthesis and Purification of Iodoaziridines Involving Quantitative Selection of the Optimal Stationary Phase for Chromatography
10:14

Synthesis and Purification of Iodoaziridines Involving Quantitative Selection of the Optimal Stationary Phase for Chromatography

Published on: May 16, 2014

Area of Science:

  • Crystallography
  • Materials Science
  • Supramolecular Chemistry

Background:

  • Understanding molecular packing is crucial for designing materials with specific properties.
  • Intermolecular interactions dictate crystal lattice formation and stability.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C9H6IN.
  • To identify and analyze the intermolecular interactions governing its crystal packing.
  • To assess the relevance of these interactions in crystal engineering.

Main Methods:

  • Single crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of intermolecular distances and angles was performed to identify key interactions.
  • Geometric criteria were used to confirm the presence of hydrogen bonds and other contacts.

Main Results:

  • The title compound, C9H6IN, crystallizes with nearly planar molecules.
  • Molecules are arranged in inclined stacks along the b axis, forming antiparallel zigzag chains.
  • Short intermolecular N...I contacts (3.131 Å) and C-H...pi hydrogen bonds (2.821 Å and 3.083 Å) were identified between adjacent stacks.

Conclusions:

  • The crystal structure is stabilized by a combination of N...I contacts and C-H...pi hydrogen bonds.
  • These interactions play a significant role in directing the self-assembly of molecules in the solid state.
  • The identified interactions are relevant for crystal engineering and the rational design of molecular materials.