Ethyl (E)-2-furyl-2-(hydroxyimino)acetate

Ulku, D
Tahir, MN
Demir, Ayhan Sıtkı
Aksoy-Cam, H
In the title compound, C8H9NO4, the hydrogen bonds between the oxime O atoms and the N and O atoms of the neighbouring asymmetric unit result in the dimerization of the molecules, with D...A distances of 2.774 (3) and 3.144 (3) Angstrom for O-H ... N and O-H ... O, respectively. The hydrogen-bridged centrosymmetric dimers are cross-linked via additional weaker intermolecular hydrogen bonds between the CH3 group and the other O atom of the dimer, forming a polymeric network. The D...A distance of this second-order interaction (C-H ... O) is 3.450 (2) Angstrom. Structure analysis indicates that the oxime is in an E configuration. The whole molecule is planar, with a maximum deviation from the least-squares plane of 0.104 (2) Angstrom


Ethylene Epoxidation Catalyzed by Silver Oxide
Ozbek, M. Olus; Önal, Işık; van Santen, Rutger A. (2011-01-01)
There are two different reaction paths towards formation of ethylene oxide (EO); in addition to that via an oxometallacycle (OMC) intermediate, silver oxide‐catalyzed epoxidation of ethylene with surface oxygen, which can occur on an oxide phase as long as no oxygen vacancies are present, is possible. This path is established computationally, by using density functional theory.
Endohedrally halogen and interhalogen substituted C-70-AM1 study
Türker, Burhan Lemi (2002-12-09)
C-70 structure having a certain halogen (Cl-2, Br-2, I-2) or interhalogen molecule (BrCl, ICl, IBr) as the endohedral substituent was considered for semiempirical quantum chemical calculations at the level of AMI (RHF). All the endohedrally monosubstituted systems were found to be stable (inversely related to the bulkiness of the substituent) but endothermic (directly related to the size of the substituent). Some electronic and physicochemical properties of these systems were also reported.
Synthesis of selenophene substituted benzodithiophene and fluorinated benzothiadiazole based conjugated polymers for organic solar cell applications
Cevher, Duygu; Taşkaya Aslan, Sultan; Bolayır, Eda; Hizalan Ozsoy, Gonul; UDUM, YASEMİN; Yıldırım, Erol; Toppare, Levent Kamil; Çırpan, Ali (2021-12-01)
A series of alternating conjugated copolymers which contain selenophene modified benzodithiophene and fluorine bearing benzothiadiazole have been synthesized via Stille polycondensation reaction to investigate the effect of the number of fluorine atoms substituted to the benzothiadiazole. Three different polymers, PBDTSe-BT, PBDTSe-FBT and PBDTSe-FFBT, were reported and their electrochemical, spectroelectrochemical, and photovoltaic behaviors were examined. Density functional theory calculations were perfor...
Ethylene epoxidation catalyzed by chlorine-promoted silver oxide
Ozbek, M. O.; Önal, Işık; Van Santen, R. A. (2011-10-12)
It is demonstrated that, on a silver oxide surface, direct formation of ethylene oxide (EO) through the reaction between gas phase ethylene and surface oxygen is possible. The direct reaction channel produces EO selectively without competing with acetaldehyde (AA) formation. The oxometallacycle (OMC) forms on an oxygen vacant surface and reduces EO selectivity. Cl adsorption removes these surface vacant sites and hence prevents the formation of the OMC intermediate.
Isoquinolinedione-urea hybrids: Synthesis, antibacterial evaluation, drug-likeness, molecular docking and DFT studies
In the present study, we applied the molecular hybridization approach to combine isoquinolinedione and urea pharmacophores in the same molecules. The hybrid compounds (IU1-IU14) were obtained by the reaction of 2-aminohomophthalimide and an equivalent amount of various isocyanate derivatives. After confirming the chemical structures and evaluating drug-likeness properties, the synthesized compounds were examined for their antibacterial activities against a wide range of bacteria. The compounds possessing li...
Citation Formats
D. Ulku, M. Tahir, A. S. Demir, and H. Aksoy-Cam, “Ethyl (E)-2-furyl-2-(hydroxyimino)acetate,” ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, pp. 94–95, 1998, Accessed: 00, 2020. [Online]. Available: