(E)-4-Hydr-oxy-N'-(4-nitro-benzyl-idene)benzohydrazide
Summary
This study details the crystal structure of a C(14)H(11)N(3)O(4) compound, revealing its near-planar molecular geometry and trans configuration. Molecules form layered structures via extensive hydrogen bonding interactions.
Area of Science:
- Crystallography
- Molecular structure determination
- Organic chemistry
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides fundamental insights into intermolecular forces and solid-state packing.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(11)N(3)O(4).
- To characterize the molecular geometry, including planarity and configuration.
- To identify and describe the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles characterized the molecular conformation.
- Intermolecular interactions, specifically hydrogen bonds, were identified and analyzed.
Main Results:
- The molecule C(14)H(11)N(3)O(4) exhibits an approximately planar structure with a small dihedral angle (2.54°) between the two substituted benzene rings.
- A trans configuration was observed around the central methyl-idene unit.
- The crystal structure is characterized by layered arrangements parallel to the (101) plane, facilitated by O-H⋯O, N-H⋯O, and C-H⋯O hydrogen bonds.
- Bifurcated hydrogen bonds involving carbonyl/nitro oxygen atoms were identified, forming an R(2)(1)(6) motif.
Conclusions:
- The detailed crystal structure provides a precise description of the C(14)H(11)N(3)O(4) molecule in the solid state.
- The observed planarity and trans configuration are key structural features.
- The identified hydrogen bonding network dictates the formation of layered structures and influences the molecule's packing in the crystal lattice.
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