Author | Facchinetti, Victor | |
Author | Gomes, Claudia R. B. | |
Author | Souza, Marcus Vinícius Nora de | |
Author | Vasconcelos, Thatyana Rocha Alves | |
Author | Wardell, Solange M. S. V. | |
Author | Wardell, James L. | |
Access date | 2019-12-10T12:55:21Z | |
Available date | 2019-12-10T12:55:21Z | |
Document date | 2014 | |
Citation | 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. | pt_BR |
ISSN | 1074-1542 | pt_BR |
URI | https://www.arca.fiocruz.br/handle/icict/37739 | |
Language | eng | pt_BR |
Publisher | Journal of Chemical Crystallography | pt_BR |
Rights | restricted access | pt_BR |
Title | Solvates of Two Ethyl 6-(2-(aryl)-4-oxothiazolidin-3-yl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylates | pt_BR |
Type | Article | pt_BR |
DOI | 10.1007/s10870-014-0540-4 | |
Abstract | 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. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Instituto de Tecnologia em Fármacos. Rio de Janeiro, RJ, Brasil / Universidade Federal Fluminense. Instituto de Química. Departamento de Química Orgânica. Rio de Janeiro, RJ, Brasil. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Instituto de Tecnologia em Fármacos. Rio de Janeiro, RJ, Brasil. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Instituto de Tecnologia em Fármacos. Rio de Janeiro, RJ, Brasil. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Instituto de Tecnologia em Fármacos. Rio de Janeiro, RJ, Brasil / Universidade Federal Fluminense. Instituto de Química. Departamento de Química Orgânica. Rio de Janeiro, RJ, Brasil. | pt_BR |
Affilliation | CHEMSOL. Aberdeen, Escócia. | pt_BR |
Affilliation | Universidade de Aberdeen. Departamento de Química. Aberdeen, Escócia. | pt_BR |
Subject | Oxothiazolidine Derivatives | pt_BR |
Subject | Supramolecular Arrangements | pt_BR |
Subject | Hydrogen Bonding | pt_BR |