N'-(3-Methoxy-benzyl-idene)-4-nitro-benzohydrazide monohydrate
Summary
This study details the crystal structure of C(15)H(13)N(3)O(4)·H(2)O, revealing specific molecular conformations and hydrogen bonding interactions. These findings contribute to understanding crystal packing and intermolecular forces in organic compounds.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The formation of hydrogen bonds significantly influences crystal lattice structures and material stability.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(13)N(3)O(4)·H(2)O.
- To analyze the molecular conformation, including torsion and dihedral angles.
- To characterize the intermolecular interactions, particularly hydrogen bonding, within the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
- Analysis of bond lengths, bond angles, torsion angles, and dihedral angles was performed.
- Intermolecular interactions, including hydrogen bonds, were identified and analyzed.
Main Results:
- The asymmetric unit contains two independent formula units of C(15)H(13)N(3)O(4)·H(2)O.
- The methyl-idenehydrazide group exhibits torsion angles close to planarity (174.3(2)° and 178.6(2)°).
- The crystal structure is stabilized by a two-dimensional network of O-H⋯O, N-H⋯O, and O-H⋯N hydrogen bonds, with additional weak C-H⋯O interactions.
Conclusions:
- The crystal structure of C(15)H(13)N(3)O(4)·H(2)O has been successfully determined.
- The molecule exhibits specific conformational preferences and is involved in extensive hydrogen bonding.
- These interactions lead to the formation of a stable two-dimensional network, providing insights into supramolecular chemistry.
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