7-Chloromethyl-12-methylbenz(a)anthracene

Area of Science:

• Crystallography
• Organic Chemistry

Background:

• Crystallographic data provides fundamental insights into molecular structure and properties.
• Understanding the three-dimensional arrangement of atoms is crucial for predicting chemical behavior.

Purpose of the Study:

• To determine and describe the crystal structure of C20H15Cl.
• To investigate the impact of substituents on the molecular geometry.

Main Methods:

• Single crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic techniques.

Main Results:

• The compound C20H15Cl crystallizes in the monoclinic space group P2(1)/c.
• Unit cell parameters: a = 20.449 (4), b = 11.473 (2), c = 13.025 (2) A, beta = 108.91 (1)degree.
• The molecular structure is characterized by a puckered ring system attributed to the steric hindrance of a 12-methyl group.

Conclusions:

• The crystal structure of C20H15Cl has been successfully elucidated.
• The presence of the 12-methyl group significantly influences the conformation of the ring system.