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4-Phenylbutan-2-one semicarbazone
1Institut für Organische Chemie, J. W. Goethe-Universität Frankfurt, Marie-Curie-Strabetae 11, 60439 Frankfurt/Main, Germany.
Summary
This study reveals that the C(11)H(15)N(3)O compound forms an extensive hydrogen bond network in its crystal structure. Notably, only five out of six potential hydrogen bonds are observed, indicating specific molecular interactions.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Hydrogen bonds are crucial intermolecular forces dictating crystal packing.
- Understanding hydrogen bonding patterns provides insights into molecular assembly and material properties.
Purpose of the Study:
- To elucidate the crystal structure and hydrogen bonding characteristics of the title compound, C(11)H(15)N(3)O.
- To analyze the extent of hydrogen bond formation within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular contacts was performed to identify and quantify hydrogen bonds.
Main Results:
- The title compound, C(11)H(15)N(3)O, crystallizes with two molecules in the asymmetric unit.
- An extended network of hydrogen bonds was observed, connecting the molecules within the crystal structure.
- Remarkably, only five of the six theoretically possible hydrogen bonds were formed, suggesting specific directional preferences or steric constraints.
Conclusions:
- The crystal structure of C(11)H(15)N(3)O is stabilized by a significant hydrogen bond network.
- The incomplete formation of theoretical hydrogen bonds highlights the nuanced nature of intermolecular interactions in the solid state.
- These findings contribute to the understanding of structure-property relationships in organic crystalline materials.