3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-d]pyrimidin-4(3H)-one

Abstract

In the title compound, C19H20ClN3O2S, the two fused rings of the thieno[2,3-d]pyrimidin-4(3H)-one system are almost coplanar. The packing of the molecules in the crystal structure is mainly governed by intermolecular C—H...O hydrogen-bonding and π–π interactions.

1,2,4-triazole derivatives with morpholine; DFT study and antileishmanial activity

“…The double bonded C=N bond leghts in triazole rings of both structures are 1.298 and 1.297 Å and the lenghts of single bonded N-N in the same rings are 1.379/1.381 and 1.367 Å. Đf compared, similar structures having triazole rings in literature have C=N and N-N bond lengthts 1.288(3)/1.304(2) and 1.371(3)/1.381(2) Å [24,25] respectively. The single bonded S-C bond lenghts in thiophene rings, to which methyl and nitro groups are bonded vary between 1.719 and 1.757 Å, whereas these vary between 1.7214 (19) and 1.743(2) Å in literature [20][21][22]. The bond lengths of both structures are compatible to bond lenghts of the single crystal structures in literature, that have morpholine, triazole and thiophene rings.…”

“…The N-C-C-O torsion angles in the morpholine ring vary between -38.63 and -44.72 o . These angles vary between -40.0(2) and 60.0(2) o in literature [20][21][22][23]. The double bonded C=N bond leghts in triazole rings of both structures are 1.298 and 1.297 Å and the lenghts of single bonded N-N in the same rings are 1.379/1.381 and 1.367 Å. Đf compared, similar structures having triazole rings in literature have C=N and N-N bond lengthts 1.288(3)/1.304(2) and 1.371(3)/1.381(2) Å [24,25] respectively.…”

“…According to obtained data, the lenghts of single bonded C-O and C-N bonds in morpholine rings of compound I and II vary between 1.415 -1.434 Å and between 1.456 -1.464 Å respectively. On the other hand, the bond [20][21][22]. The N-C-C-O torsion angles in the morpholine ring vary between -38.63 and -44.72 o .…”