title: Pelanserin: 3-[3-(4-phenyl-piperazin-1-yl)prop-yl]quinazoline-2,4(1H,3H)-dione.
abstract: The title compound, C21H24N4O2, is a potent serotonin 5-HT2 and α1-adrenoceptor antagonist. The n-propyl chain links the quinazolinedione heterocycle and the phenyl-piperazine 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, mol-ecules form centrosymmetric dimers through R 2 (2)(8) 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 R 2 (2)(20) and R 1 (2)(7) motifs.
authors.affiliation: Centro de Graduados e Investigación del Instituto Tecnológico de Tijuana, Apdo. Postal 1166, 22500 Tijuana, B.C., Mexico.
authors.forename: Gerardo
authors.initials: G
authors.lastname: Aguirre Hernández
authors.affiliation: Centro de Graduados e Investigación del Instituto Tecnológico de Tijuana, Apdo. Postal 1166, 22500 Tijuana, B.C., Mexico.
authors.forename: Ratnasamy
authors.initials: R
authors.lastname: Somanathan
authors.affiliation: DEP Facultad de Ciencias Químicas, UANL, Guerrero y Progreso S/N, Col. Treviño, 64570 Monterrey, N.L., Mexico.
authors.forename: Sylvain
authors.initials: S
authors.lastname: Bernès
keywords: crystal structure