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Structure of a praziquantel analogue


, : Structure of a praziquantel analogue. Acta Crystallographica Section C Crystal Structure Communications 47(11): 2492-2494

2-(m-Nitrobenzoyl)-1,2,3,6,7,11b-hexa-hydro-4H-pyrazino[2,1-a]isoquinolin-4-one, C19H17-N3O4, Mr =351.4, monoclinic, P21/n, a = 14.803 (3), b = 7.991 (1), c = 15.253 (3) .ANG., .beta. = 115.24 (1).degree., V = 1632.1 (5) .ANG.3, Z = 4, Dx = 1.43 Mg m-3, .lambda.(Cu K.alpha.) = 1.54178 .ANG., .mu. = 8.04 cm-1, F(000) = 736, T = 293 K, final R = 0.038 for 1821 unique observed reflections [Fo > 3.sigma.(Fo)]. The hydropyrazine ring adopts a half-chair conformation, while the tetrahydropyridine moiety has a sofa conformation with C(6) 0.66 .ANG. out of the plane formed by C(7).sbd.C(7a).sbd.C(11a).sbd.C(11b).sbd.N(5). The nitrophenyl group is essentially planar [maximum deviation O(4) 0.029 .ANG.] and makes a dihedral angle of 42.9 (4).degree. with the amide group (N(2).sbd.C(12).sbd.O(2).sbd.C(13). The phenyl gorup is the isoquinoline moiety is also planar and the two carbonyls are trans oriented to each other [angle between planes 135.2 (4).degree.]. Crystal packing is entirely due to van der Waals forces.

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DOI: 10.1107/s0108270191005504


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