Monday, 6 February 2012

Structures and characterization of m-nisoldipine polymorphs

Paper
Caiqin Yang  Zhenwei Zhang  Yanli Zeng  Jing Wang  Yongli Wang and Baoqing Ma
CrystEngComm, 2012, Advance Article

DOI: 10.1039/C2CE06359J









http://pubs.rsc.org/en/content/articlelanding/2012/ce/c2ce06359j


Abstract


m-Nisoldipine, a dihydropyridine calcium ion antagonist, first synthesized in the School of Pharmaceutical Sciences, Hebei Medical University, exhibits two polymorphs A and B with different colors and morphologies. The single-crystal X-ray structure analysis reveals that polymorph A crystallizes in a monoclinic P21/c space group with a = 9.3045(2) Å, b = 16.5991(5) Å, c = 13.0018(3) Å, β = 91.539(2)° and Z = 4, while B crystallizes in a triclinic space group of P1 with a = 7.4965(2) Å, b = 11.4692(4) Å, c = 12.3648(5) Å, α = 68.093(2)°, β = 88.655(2)°, γ = 81.853(2)° and Z = 2. The m-nisoldipine molecules are connected through N–H....O hydrogen bonds between the carbonyl group and the amine group to form either a wavy chain for A or a linear chain for B. The two polymorphs show distinct physicochemical properties as characterized by IR, Raman, DSC and terahertz pulse spectroscopy. DFT theoretical calculations are also used to simulate the terahertz spectroscopy of the two polymorphs.








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