title: Solid-state chemistry and crystal structure of cefaclor dihydrate.
abstract: Cefaclor [7-(D-2-amino-2-phenylacetamido)-3-chloro-3-cepham-4-carboxy lic acid] crystallizes as the dihydrate. Crystals belong to space group P21, with a = 10.626(3), b = 7.1288(9), c = 14.124(3), and beta = 121.6(2). The structure was solved using direct methods and refined to an R of 0.0535. The bond lengths, angles, and conformation determined are as expected for cephalosporins. The two water molecules are held in the crystal differently. The 13C solid-state NMR spectrum of cefaclor dihydrate is also reported and is consistent with its crystal structure.
authors.affiliation: Department of Medicinal Chemistry and Pharmacognosy, School of Pharmacy and Pharmacal Sciences, Purdue University, West Lafayette, Indiana 47907.
authors.forename: H
authors.initials: H
authors.lastname: Martinez
authors.forename: S R
authors.initials: SR
authors.lastname: Byrn
authors.forename: R R
authors.initials: RR
authors.lastname: Pfeiffer
mesh_terms: D002433:Cefaclor / Q000032:analysis*; D002506:Cephalexin / Q000031:analogs & derivatives*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003461:Crystallography; D009682:Magnetic Resonance Spectroscopy; D008954:Models, Biological; D008968:Molecular Conformation
chemical_list: D002433:Cefaclor; D002506:Cephalexin