Vol 70: Pelanserin: 3-3-4-phenyl-piperazin-1-ylprop-ylquinazoline-2,41H,3H-dione.Report as inadecuate



 Vol 70: Pelanserin: 3-3-4-phenyl-piperazin-1-ylprop-ylquinazoline-2,41H,3H-dione.


Vol 70: Pelanserin: 3-3-4-phenyl-piperazin-1-ylprop-ylquinazoline-2,41H,3H-dione. - Download this document for free, or read online. Document in PDF available to download.

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This article is from Acta Crystallographica Section E: Structure Reports Online, volume 70.AbstractThe title compound, C21H24N4O2, is a potent serotonin 5-HT2 and α1-adrenoceptor antagonist. The n-propyl chain links the quinazolinedione heterocycle and the phenyl­piperazine group in which the benzene ring is equatorially located and the piperazine ring has the expected chair conformation. The dihedral angle between the planes of the benzene ring and the quinazolinedione ring system is 74.1 1°. In the crystal, mol­ecules form centrosymmetric dimers through R228 hydrogen-bonded rings involving the amine and one carbonyl group of the quinazolinedione moiety. These dimers are extended into chains extending along the a-axis direction through expanded centrosymmetric cyclic C—H⋯O associations involving the second carbonyl group, giving R2220 and R127 motifs.



Author: Aguirre Hernandez, Gerardo; Somanathan, Ratnasamy; Bernes, Sylvain

Source: https://archive.org/







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