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Updated: Jun 1, 2026
07:06
Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid
Published on: November 15, 2017
6-Methyl-2,7-diphenyl-1,4-diazepan-5-one
Summary
This study details the crystal structure of a specific organic compound, C(18)H(20)N(2)O. It reveals a distorted chair conformation in its seven-membered ring and specific dihedral angles between phenyl rings.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystallography provides precise insights into molecular conformations and intermolecular interactions in the solid state.
Purpose of the Study:
- To elucidate the crystal structure and molecular conformation of the title compound, C(18)H(20)N(2)O.
- To analyze the specific geometric parameters, including dihedral angles and ring conformations.
- To identify and describe the intermolecular interactions present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, bond angles, dihedral angles, and conformational descriptors was performed.
- Intermolecular interactions were identified using geometric criteria.
Main Results:
- The title compound, C(18)H(20)N(2)O, crystallizes with two molecules in the asymmetric unit.
- The seven-membered ring in both molecules adopts a distorted chair conformation.
- Dihedral angles between phenyl rings were measured as 43.2(1)° and 54.7(1)°.
- Crystal packing is characterized by N-H⋯O hydrogen bonds and weak N-H⋯π and C-H⋯π interactions.
Conclusions:
- The study provides a detailed structural characterization of C(18)H(20)N(2)O in the solid state.
- The observed distorted chair conformation and specific phenyl ring orientations are key structural features.
- The identified intermolecular interactions contribute to the overall crystal packing and stability.
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