The previously unreported crystal structure of ( S )-Dapoxetine hydrochloride (DAPHCl), the only active pharmaceutical ingredient specially developed for the treatment of premature ejaculation in men, has been determined from laboratory X-ray powder diffraction data with DASH and refined by the Rietveld method with TOPAS-Academic. The structure was evaluated and optimized by dispersion-corrected DFT calculations. This compound crystallizes in an orthorhombic cell, space group P 2 1 2 1 2 1 , with unit-cell parameters a = 6.3208(3) Å, b = 10.6681(5) Å, c = 28.1754(10) Å, V = 1899.89(14) Å 3 , Z = 4. The refinement converged to Rp= 0.0442, Rwp= 0.0577, and GoF = 2.440. The crystal structure is a complex 3D arrangement of DAPHCl moieties held together by hydrogen bonds, π⋯π, and C–H⋯π interactions. The chloride ions form layers parallel to the ab plane and are connected by dapoxetinium moieties through N–H⋯Cl and C–H⋯Cl hydrogen bonds. These layers stack along the c -axis, which are connected by C–H⋯π interactions. Hirshfeld surface analysis and fingerprint plot calculations have been performed.
Several benzothiophene-based compounds, including 1-benzothiophene-2-carboxylic acid, exhibit a wide variety of pharmacological activities. They have been extensively used to treat various types of diseases with high therapeutic effectiveness. In this contribution, the crystal structure of a new polymorph of 1-benzothiophene-2-carboxylic acid (BTCA) was determined from laboratory X-ray powder diffraction data with DASH, refined by the Rietveld method with TOPAS-Academic, and optimized using DFT-D calculations. The new form of 1-benzothiophene-2-carboxylic acid crystallizes in space group C 2/ c (No. 15) with a = 14.635(4), b = 5.8543(9), c = 19.347(3) Å, β = 103.95(1)°, V = 1608.8(6) Å 3 , and Z = 8. The structure is a complex 3D arrangement which can be described in terms of hydrogen-bonded dimers of BTCA molecules, joined by the acid–acid homosynthon, which interact through C–H⋯O hydrogen bonds to produce tapes further connected through head-to-tail π⋯π and edge-to-face C–H⋯π interactions. A comparison with a previously reported triclinic polymorph and with the related 1-benzofuran-2-carboxylic acid (BFCA) is also presented.
1 September 2011 in Journal of Ancient Near Eastern Religions
The purpose of this article is to analyse Pharaoh Rhampsinitus’ descent to the Underworld, briefly reported by Herodotus (II, 122, 1) and included by the Greek writer in the legendary history of Egypt. This short episode can be connected to the demotic cycle of Setne Khamwas, to be precise when this literary hero seizes a book of magic from a tomb after playing dice—the Egyptian senet—with the dead. These two stories share a common origin, arising possibly from the same folkloric tradition from the second half of the First Millenium B.C. But even if the adventure of Rhampsinitus is one of the many underworld motifs which occur in folklore throughout the world, it is important to note that the descent to hell is not a recurrent theme in Egyptian imagery. Here we are dealing possibly with a foreign topic, even an interpretatio graeca of the katabasis of Rhampsinitus, Herodotus being influenced by the echoes of the doctrines of the Orphics and the Pythagoreans, and trying to support the supposedly Egyptian belief in the transmigration of the soul, a clearly dubious statement.