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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
1,4-Di-n-hept-yloxy-2,5-dinitro-benzene
Octavia A Blackburn1, Benjamin J Coe, Robert Futhey
1School of Chemistry, University of Manchester, Manchester M13 9PL, England.
Summary
This study reveals the molecular structure of a novel compound, C(20)H(32)N(2)O(6), highlighting the specific arrangement of its nitro and alkoxy groups. Molecular conformation and crystal packing are detailed, showing weak C-H⋯O interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Determination
Background:
- Understanding molecular conformation is crucial for predicting chemical properties and reactivity.
- Crystal structure analysis provides precise atomic arrangements and intermolecular interactions.
Purpose of the Study:
- To elucidate the complete molecular structure of the title compound, C(20)H(32)N(2)O(6).
- To analyze the conformation of nitro and alkoxy substituents relative to the phenyl ring.
- To investigate intermolecular interactions within the crystal lattice.
Main Methods:
- X-ray crystallography was employed to determine the three-dimensional structure.
- Analysis of crystallographic data revealed molecular symmetry and substituent orientations.
- Identification of weak hydrogen bonding interactions (C-H⋯O) in the crystal.
Main Results:
- The molecule exhibits crystallographic inversion symmetry.
- Nitro substituents are in a trans, fully eclipsed conformation, twisted 43.2° from the phenyl ring plane.
- Alkoxy substituents show near-coplanar orientation with the phenyl ring (torsion angle 2.0°).
- Weak C-H⋯O interactions facilitate crystal packing.
Conclusions:
- The study provides a detailed structural characterization of C(20)H(32)N(2)O(6).
- The specific conformations and weak interactions offer insights into the compound's solid-state behavior.
- This structural data serves as a foundation for further chemical and physical studies.
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