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Updated: May 22, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
7-Chloro-4-(piperazin-1-yl)quinoline
Summary
This study details the crystal structure of C(13)H(14)ClN(3), revealing two molecules per asymmetric unit. These molecules form chains via N-H⋯N hydrogen bonds, with the crystal exhibiting non-merohedral twinning.
Area of Science:
- Crystallography
- Chemical structure analysis
Background:
- Understanding the molecular arrangement and intermolecular interactions of chemical compounds is crucial for predicting their properties and potential applications.
- The specific compound C(13)H(14)ClN(3) has not been extensively characterized in terms of its solid-state structure.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(13)H(14)ClN(3).
- To investigate the intermolecular interactions, specifically hydrogen bonding, present in the crystal lattice.
- To characterize the twinning nature of the crystal sample.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
- The presence and nature of hydrogen bonds were analyzed.
Main Results:
- The asymmetric unit of the crystal structure contains two molecules of C(13)H(14)ClN(3) (Z' = 2).
- N-H⋯N hydrogen bonds were identified, linking molecules into chains along the [110] direction.
- The crystal was determined to be a non-merohedral twin with component fractions of 0.622(2) and 0.378(2).
Conclusions:
- The crystal structure of C(13)H(14)ClN(3) has been successfully determined.
- The hydrogen bonding network dictates the supramolecular arrangement in the solid state.
- The observed non-merohedral twinning is an important characteristic for future crystallographic studies of this compound.
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