Low-temperature study of a new nevirapine pseudopolymorph

The title compound (systematic name: 11-cyclo­propyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one butanol 0.3-solvate), C15H14N4O·0.3C4H9OH, was crystallized in a new triclinic pseudopolymorphic form, a butanol solvate, and the crystal structure determined at 150 K. The mol­ecular conformation of this new form differs from that reported previously, although the main inter­molecular hydrogen-bond pattern remains the same. N—H⋯O hydrogen bonds [N⋯O = 2.957 (3) Å] form centrosymmetric dimers and the crystal packing of this new pseudopolymorph generates infinite channels along the b axis

Conformational polymorphism of the antidiabetic drug chlorpropamide

In this paper, the main features of Raman spectroscopy, one of the first choice methods in the study of polymorphism in pharmaceuticals, are presented taking chlorpropamide as a case of study. The antidiabetic drug chlorpropamide (1-[4-chlorobenzenesulphonyl]-3-propyl urea), which belongs to the sulfonylurea class, is known to exhibit, at least, six polymorphic phases. These forms are characterized not only by variations in their molecular packing but also in their molecular conformation. In this study, the polymorphism of chlorpropamide is discussed on the basis of Raman scattering measurements and quantum mechanical calculations. The main spectroscopic features that fingerprint the crystalline forms are correlated with the corresponding crystalline structures. Using a theoretical approach on the energy dependence of the conformers, simulated molecular torsion angles are plotted versus the formation energy, which provides a satisfactory agreement between the torsion angles at the energy minima and the experimental values observed in the different solid forms of chlorpropamide. Copyright (C) 2011 John Wiley & Sons, Ltd.CNPqProsulCNPq-ProsulFUNCAPFUNCAPCAPESCAPESFAPESPFAPESPCONICETCONICETMinisterio de Ciencia y Tecnologia (Argentina)Ministerio de Ciencia y Tecnologia (Argentina)Fundacion SauberanFundacion SauberanAgencia Cordoba CienciaAgencia Cordoba CienciaCNPqCNPqCAPES-PNPDCAPES PNP