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2-(4-Chloro-anilino)pyridine.
M Zainal Abidin Fairuz1, Zaharah Aiyub, Zanariah Abdullah
1Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study reveals the crystal structure of a chlorinated compound, C(11)H(9)ClN(2). Four molecules in the crystal structure form hydrogen bonds, showcasing specific molecular arrangements.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- The study focuses on the molecular arrangement and bonding within the crystal structure of a specific organic compound.
- Understanding the precise three-dimensional arrangement of atoms in molecules is crucial in chemistry and materials science.
Purpose of the Study:
- To determine and describe the crystal structure of the title compound, C(11)H(9)ClN(2).
- To analyze the intermolecular interactions, specifically hydrogen bonding, between molecules in the solid state.
- To characterize the crystallographic features, including twinning.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using crystallographic software.
- Analysis of the molecular geometry and intermolecular contacts was performed.
Main Results:
- The asymmetric unit contains four independent molecules of C(11)H(9)ClN(2).
- The aromatic rings within each molecule are nearly coplanar.
- Two pairs of amino-pyridyl N-H⋯N hydrogen bonds were identified, linking the molecules.
- A 15% twin component related by a twofold rotation about the [100] axis was observed.
Conclusions:
- The crystal structure of C(11)H(9)ClN(2) has been elucidated, revealing specific molecular conformations.
- Intermolecular hydrogen bonding plays a significant role in organizing the molecules in the crystal lattice.
- The presence of a twin component is an important crystallographic characteristic of this compound.
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