title: Determination of the crystal structure of nifedipine form C by synchrotron powder diffraction.
abstract: The crystal structure of the metastable form C polymorph of nifedipine [C(17)H(18)N(2)O(6), 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate] was determined by means of direct-space techniques applied to high-resolution synchrotron powder diffraction data. The polymorph crystallizes in the space group P1 and exhibits a molecular packing significantly different from that of the stable modification, with molecules aligned in an orthogonal configuration inside the unit cell. The molecular conformation, on the other hand, remains substantially unmodified between the two polymorphs. Additionally, in situ thermal characterization of nifedipine crystallization behaviour was performed, confirming the nucleation of another metastable polymorph (form B) prior to the complete crystallization of the stable modification. A complete structural characterization of form B was not possible owing to its very limited stability interval.
authors.affiliation: Fondazione Bruno Kessler, via Sommarive 18, Trento, TN 38100, Italy. bortolotti@fbk.eu
authors.forename: Mauro
authors.initials: M
authors.lastname: Bortolotti
authors.forename: Ivan
authors.initials: I
authors.lastname: Lonardelli
authors.forename: Giancarlo
authors.initials: G
authors.lastname: Pepponi
mesh_terms: D000465:Algorithms; D008958:Models, Molecular; D008968:Molecular Conformation; D009543:Nifedipine / Q000737:chemistry*; D033362:Powder Diffraction; D017356:Synchrotrons
chemical_list: D009543:Nifedipine