Structure of the antiviral drug ethyl 4-(2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy)benzoate

Jottier, W.I.; De Winter, H.L.; Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.

doi:10.1107/S0108270190013439

Title

Structure of the antiviral drug ethyl 4-(2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy)benzoate

Author

Jottier, W.I.

De Winter, H.L.

Blaton, N.M.

Peeters, O.M.

De Ranter, C.J.

Abstract

C21H27N3O3, M(r) = 369.5, triclinic, P1BAR, a = 6.801 (7), b = 11.08 (1), c = 26.82 (4) angstrom, alpha = 79.2 (1), beta = 86.5 (1), gamma = 82.52 (9)-degrees, V = 1967 (4) angstrom 3, Z = 4, D(m) = 1.25, D(x) = 1.247 Mg m-3, graphite-monochromated Mo K-alpha radiation, lambda = 0.71069 angstrom, mu = 0.079 mm-1, F(000) = 792, T = 293 K, final R = 0.079 for 3724 unique reflections with \F(o)\greater-than-or-equal-to 4\sigma-F(o)\. The asymmetric unit contains two molecules, A and B. They show pseudo-symmetry at (1/4, 1/4, 1/2), which is only broken by a 180-degrees rotation of the ethyl-ethoxy moiety connected to the benzoate ring. The crystal structure is stabilized by hydrogen bonds between an N atom of the pyridazinyl ring of molecule A and an H atom of the pyridazinyl ring of molecule B. The chains are directed along the diagonal a-b.

Language

English

Source (journal)

Acta crystallographica: section C: crystal structure communications. - Copenhagen

Publication

Copenhagen : 1991

ISSN

0108-2701

DOI

10.1107/S0108270190013439

Volume/pages

47 :7 (1991) , p. 1517-1520