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Solid-state chemistry and crystal structure of cefaclor dihydrate
H Martinez1, S R Byrn, R R Pfeiffer
1Department of Medicinal Chemistry and Pharmacognosy, School of Pharmacy and Pharmacal Sciences, Purdue University, West Lafayette, Indiana 47907.
Pharmaceutical Research
|February 1, 1990
Summary
Cefaclor dihydrate crystallizes in space group P21. Its crystal structure, determined by direct methods, aligns with typical cephalosporin conformations and is supported by 13C solid-state NMR data.
Area of Science:
- Crystallography
- Solid-state chemistry
- Pharmaceutical science
Background:
- Cefaclor is a widely used cephalosporin antibiotic.
- Understanding the crystalline structure of antibiotics is crucial for formulation and stability.
- The dihydrate form of Cefaclor has specific crystallographic properties.
Purpose of the Study:
- To determine the crystal structure of Cefaclor dihydrate.
- To characterize the crystallographic parameters and conformation of Cefaclor.
- To investigate the role of water molecules in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was used to solve the crystal structure.
- Direct methods were employed for structure determination.
- 13C solid-state Nuclear Magnetic Resonance (NMR) spectroscopy was utilized for characterization.
Main Results:
- Cefaclor dihydrate crystallizes in the monoclinic space group P21.
- The unit cell parameters were determined as a = 10.626(3), b = 7.1288(9), c = 14.124(3), and beta = 121.6(2).
- The determined bond lengths, angles, and conformation are consistent with known cephalosporin structures, and the two water molecules exhibit distinct interactions within the crystal.
Conclusions:
- The crystal structure of Cefaclor dihydrate has been elucidated.
- The structural data provides insights into the solid-state behavior of Cefaclor.
- The 13C solid-state NMR spectrum confirms the findings from the crystal structure analysis.