Article
Solvates of Two Ethyl 6-(2-(aryl)-4-oxothiazolidin-3-yl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylates
Registro en:
FACCHINETTI, Victor et al. Solvates of Two Ethyl 6-(2-(aryl)-4-oxothiazolidin-3-yl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylates. Journal of Chemical Crystallography v. 44, p. 471–479, 2014.
1074-1542
10.1007/s10870-014-0540-4
Autor
Facchinetti, Victor
Gomes, Claudia R. B.
Souza, Marcus Vinícius Nora de
Vasconcelos, Thatyana Rocha Alves
Wardell, Solange M. S. V.
Wardell, James L.
Resumen
The crystal structures of solvates of ethyl 6-(2-
(RC6H4)-4-oxothiazolidin-3-yl)-1-ethyl-4-oxo-1,4-dihydroquinoline-
3-carboxylate derivatives, (1a; R = 3-Br)
and (1b: R = H), namely [1a (H2O)] and [(1b)2 (H2O)2
(EtOH)], are reported. The solvate molecules in [(1b)2
(H2O)2 (EtOH)] are disordered in contrast to the ordered
hydrate molecule in [1a (H2O)]. The disordered EtOH
molecules merely solvate individual oxothiazolidine units,
while the hydrate molecules in both compounds link the
oxothiazolidine units into chains. Despite the differences
involving the solvates, the supramolecular arrangements in
the two solvated compounds are very similar, being made of
O–H O, C–H O, C–H p and p p intermolecular interactions.
It is noticeable that differently sited CH units in the
RC6H4 rings are used in the C–H p interactions. In each
compound, the RC6H4 ring is near orthogonal to the verynear
planar quinoline ring with angles between the best
planes of 83.82(10) and 88.52(3) , for 1a and 1b, respectively.
Compound (1) crystallizes in the triclinic space group P-1 with a = 10.7995(11) A ° , b = 11.2612(11) A ° ,
c = 11.3792(11) A ° , a = 108.504(8) , b = 116.317(8) ,
c = 92.846(7) , and Z = 2. Compound (2) crystallizes in
the triclinic space group P-1 with a = 10.8717(3) A ° ,
b = 11.0038(3) A ° , c = 11.2648(3) A ° , a = 66.040(2) ,
b = 86.422(2) , c = 67.052(1) , and Z = 2.