1,721,083 research outputs found
CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
Full text linkNAMYIN : azido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-(methanol)-copper tetrafluoroborate Space Group: P 21/n (14), Cell: a 7.0033(3)Å b 10.8941(3)Å c 25.6059(9)Å, α 90° β 97.242(4)° γ 90°Supporting information: [https://cer.ihtm.bg.ac.rs/handle/123456789/4902]Published article: [https://cer.ihtm.bg.ac.rs/handle/123456789/4901]Crystallographic data (CCDC 2110386) for the article: Stevanović, Nevena, Zlatar, Matija, Novaković, Irena, Pevec, Andrej, Radanović, Dušanka, Matić, Ivana Z., Đorđić Crnogorac, Marija, Stanojković, Tatjana, Vujčić, Miroslava, Gruden, Maja, Sladić, Dušan, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity" in Dalton Transactions, 51, no. 1 (2022):185-196, [https://doi.org/10.1039/D1DT03169D]Related crystallographic data (CCDC 2110387): [https://cer.ihtm.bg.ac.rs/handle/123456789/4904]Related crystallographic data (CCDC 2110388): [https://cer.ihtm.bg.ac.rs/handle/123456789/4905
CCDC 2244671: Experimental Crystal Structure Determination
No full textGOCXAB : catena-[(μ-azido)-(N'-[1-(1,3-thiazol-2-yl)ethylidene]carbamohydrazonothioato)-zinc(ii)] Space Group: P 21/c (14), Cell: a 7.4254(3)Å b 18.6798(8)Å c 7.9925(4)Å, α 90° β 100.930(4)° γ 90°Accepted version of the manuscript: [https://cer.ihtm.bg.ac.rs/handle/123456789/6545]Published version of the manuscript: [https://cer.ihtm.bg.ac.rs/handle/123456789/7293]Crystallographic data (CCDC 2244671) for: Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193, [https://doi.org/10.1002/ejic.202300193]Related crystallographic data (CCDC 2244672): [https://cer.ihtm.bg.ac.rs/handle/123456789/8585]Computational data: [https://doi.org/10.19061/iochem-bd-6-558
CCDC 2244672: Experimental Crystal Structure Determination
No full textGOCXEF : diazido-{2-(pyridin-1-ium-1-yl)-N-[1-(pyridin-2-yl)ethylidene]ethanehydrazonato}-zinc(ii) Space Group: P 21/c (14), Cell: a 12.3417(5)Å b 8.9990(5)Å c 15.3451(6)Å, α 90° β 101.169(4)° γ 90°Accepted version of the manuscript: [https://cer.ihtm.bg.ac.rs/handle/123456789/6545]Published version of the manuscript: [https://cer.ihtm.bg.ac.rs/handle/123456789/7293]Crystallographic data (CCDC 2244672) for: Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193, [https://doi.org/10.1002/ejic.202300193]Related crystallographic data (CCDC 2244671): [https://cer.ihtm.bg.ac.rs/handle/123456789/8584]Computational data: [https://doi.org/10.19061/iochem-bd-6-558
Coordination compounds with N-ethoxycarbonyl-N\u27-(3-methylpyridine-2-yl)thiourea as ligand
No full textIzvedla sem reakcije med N-etoksikarbonil-N\u27-(3-metilpiridin-2-il)tiosečnino kot ligandom in Cu(II), Ni(II), Cd(II), Zn(II) ter Co(II) ioni ter z dodatkom MeONa in/ali KSCN v reakcijski zmesi. Reakcije so potekale v metanolu kot topilu ob segrevanju in intenzivnem mešanju. Nastalo je šest različnih produktov. Reakcije Cd(II), Zn(II) in Co(II) z ligandom niso potekle. Ligand pa se je uspešno koordiniral na Ni(II) in Cu(II) ione. Pri reakcijah s Cu(II) ioni in ligandom sta poleg koordinacijske spojine nastali še dve spojini, kjer je prišlo do oksidativne ciklizacije liganda in je nastal 2-((etoksikarbonil)amino)-8-metil-[1,2,4]tiadiazolo[2,3-a]piridin-4-ijev kation. Nastale produkte sem okarakterizirala z IR spektroskopijo, 1H NMR spektroskopijo, rentgensko strukturno analizo in elementno analizo.Reactions between N-etoxycarbonyl-N\u27-(3-methylpyridine-2-yl)-thiourea, as ligand, and Cu(II), Ni(II), Cd(II), Zn(II) and Co(II) ions with addition of MeONa and/or KSCN were performed. The reactions were carried out in methanol as solvent, with heating and vigorous stirring. Six different products were created. Reactions between Zn(II), Co(II), Cd(II) ions and ligand did not occur. The ligand was successfully coordinated to Ni(II) and Cu(II) ions. Reactions with Cu(II) ions and the ligand, alongside to the coordination compound, two other compounds were formed, where oxidative cyclization of the ligand occurred and 2-((ethoxycarbonyl)amino)-8-methyl-[1,2,4]thiadiazolo[2,3-a]pyridin-4-ium cation was formed. The resulting products were characterized by IR spectroscopy, 1H NMR spectroscopy, X-ray structural analysis and elemental analysis
CRYSTAL STRUCTURES OF PHENANTHROLINIUM HEXAFLUORIDOMETALLATES
No full textV diplomskem delu sem predstavila dve koordinacijski spojini. To sta spojini [Hphen]2[TiF6] in [Hphen]2[SnF6]. Obema spojinama je skupno, da sta zgrajeni iz ionov: fenantrolinijevega kationa in heksafluoridometalatnega aniona. V anionu je kot centralni kovinski ion titana (1) ali kositra (2) koordiniran s šestimi fluoridnimi ioni kot ligandi. Kation je fenantrolin protoniran na enem od dušikovih atomov. V delu sem se osredotočila na rentgensko strukturno analizo monokristalov in sintezno pot teh dveh spojin.In my study I presented two compounds. These are compounds [Hphen]2[TiF6] and [Hphen]2[SnF6]. Both compounds have in common that they consist of ions: phenanthrolinium cation and hexafluoridometallate anion. In the anion is the central metal ion of titanium (1) or tin (2) coordinated with six fluoride ions as ligands. The cation is phenanthroline protonated at one of the nitrogen atoms. In my work I focused on X-ray structure analysis on singlecrystal and on synthesis of these two compounds
ADENINE AS A CATION IN HEXAFLUORIDOTITANATE SALTS
Full text linkPripravila sem adeninijev hekasfluoridotitanat(IV), to je sol s formulo [RH2][TiF6] (1), pri čemer je R adenin (C5H5N5). Spojino sem sintetizirala v stehiometričnem razmerju 1:1 med titanovim dioksidom in adeninom v fluorovodikovi kislini. Iz raztopine se je izločil kristalinični produkt, ki sem ga nato karakterizirala z metodo rentgenske strukturne analize. Opisala sem tudi tri podobne spojine iz literature, ki vsebujejo dvakrat protoniran adeninijev kation in oktaedrični heksahalogenidometalatni anion s formulami: [RH2]2[SnCl6]Cl2∙4H2O (2), [RH2]2[ReCl6]Cl2∙4H2O (3) in [RH2]2[ReBr6]Br2∙4H2O (4).I have prepared adenine hexafluoridotitanate(IV) salt, with a general formula [RH2][TiF6] (1) in which R means adenine. I synthesized the compound in stoichiometric ratio 1:1 between titanium dioxide and adenine in HF acid. The obtained product was crystalline and was then characterized with X-ray structure analysis. I have also described three similar already known compounds that contain doubly protonated adenine cation and octahedral anion with formulas: [RH2]2[SnCl6]Cl2∙4H2O (2), [RH2]2[ReCl6]Cl2∙4H2O (3) in [RH2]2[ReBr6]Br2∙4H2O (4)
Lead coordination compounds with some thiosemicarbazides as ligands
No full textSintetizirala sem nove svinčeve koordinacijske spojine. Pri sintezi sem kot liganda uporabila dva tiosemikarbazida, 4-(2-piridil)tiosemikarbazid (L1) in 4-(6-metil-2-piridil)tiosemikarbazid (L2). Vse reakcije sem izvedla po enakem postopku. Kot topilo sem uporabila raztopino metanola in zmes refluktirala. Po končanih reakcijah sem omogočila počasno odparevanje topila pri sobnih pogojih. Izločilo se je pet produktov (1–5).
Nastale strukture sem okarakterizirala s pomočjo rentgenske strukturne analize. Spojini 1 in 2 sta kristalni strukturi uporabljenih ligandov. Nastala je nova kristalna struktura liganda L1, ki še ni opisana v literaturi. Posneta sta bila tudi IR in 1H NMR spektra. Prav tako v literaturi ni opisana kristalna struktura liganda L2.
Kristalna struktura spojine 3 ima formulo [Pb(L1)4(SCN)2]·2CH3OH. Centralni ion je svinčev(II) ion, ki ima koordinacijsko vezanih šest ligandov. Koordinacijsko število svinca je osem, s popačeno strukturo dodekaedra. Dva liganda L1 sta na centralni ion vezana kelatno preko atoma dušika in žvepla, dva pa monodentatno preko atoma žvepla. Koordinacijsko se vežeta tudi dva tiocianatna iona. Posneta sta bila IR in 1H NMR spektra.
Spojini 4 je bila določena kristalna struktura s formulo [Pb(L1)4(NO3)2]·2CH3OH, ki je podobna kristalni strukturi spojine 3. Šest ligandov je vezanih na centralni svinčev(II) ion s koordinacijskim številom osem v obliki dodekaedra. Dva liganda L1 sta na svinčev(II) ion vezana monodentatno preko atoma žvepla, dva pa kelatno preko atomov dušika in žvepla. Vežeta se tudi dva nitratna iona.
Kristalna struktura spojine 5 s formulo [Pb2(L2)6(NO3)2](NO3)2·2H2O je koordinacijski kompleks. Nastal je koordinacijski kation, ki ima dva svinčeva(II) iona. Na vsak svinčev(II) ion so kelatno vezani trije ligandi L2 in monodentatno en nitratni anion. Koordinacijsko število posameznega svinčevega(II) iona je osem. V celotni strukturi sta dva L2 tudi mostovna liganda, ki povezujeta svinčeva(II) iona preko atoma žvepla.New lead coordination compounds were synthesised. Two thiosemicarbazides were used, 4-(2-pyridyl)thiosemicarbazide (L1) and 4-(6-methyl-2-pyridiyl)thiosemicarbazide (L2). Reactions were carried out under the same procedure. Methanol was used as a solvent. The solutions were under reflux. Slow evaporation of solvent was carried out under ambient conditions. Five products (1–5) were isolated.
New products were characterised using single crystal X-ray diffraction. Compounds 1 and 2 are crystal structures of used ligands, respectively. New crystal structure of ligand L1 was formed, which has not yet been characterised in literature. IR and 1H NMR spectra were taken. Crystal structure of ligand L2 has not yet been characterised in literature as well.
Crystal structure of compound 3 with the chemical formula [Pb(L1)4(SCN)2]·2CH3OH was characterised. Central ion is lead(II) ion with coordinated six ligands. Coordination number of lead is eight with distorted dodecahedron structure. Two ligands L1 form a chelate ring through nitrogen and sulphur atoms and two L1 are monodentatly coordinated through sulphur atom. Two thiocyanate ions are coordinated. IR and 1H NMR spectra were taken.
Crystal structure of compound 4 was characterised with the chemical formula [Pb(L1)4(NO3)2]·2CH3OH, similar to crystal structure of compound 3. Six ligands are coordinated to lead(II) central ion with coordination number eight in shape of dodecahedron. Two ligands L1 form a chelate ring through nitrogen and sulphur atoms and two L1 are monodentatly coordinated through sulphur atom. Two nitrate ions are coordinated.
Crystal structure of compound 5 was characterised with the chemical formula [Pb2(L2)6(NO3)2](NO3)2·2H2O. Coordination cation was formed containing two lead(II) ions. Each central ion has three coordinated L2 and one monodentatly coordinated nitrate ligand. Coordination number of each lead(II) ion is eight. Two chelate L2 are also bridging ligands that form a bridge through sulphur atom between both lead(II) ions
Fluoridosilicates of some pyridinemethanoles
No full textTemeljna podlaga dela je sinteza in karakterizacija koordinacijskih spojin, sintetiziranih iz nekaterih piridinmetanolov, natančneje iz 2-piridinmetanola, 3-piridinmetanola in 4-piridinmetanola s silicijevim dioksidom. Sinteze so potekale v raztopini fluorovodikove kisline, ki je bila reaktant in topilo hkrati. Reakcije so bile izvedene v dveh različnih množinskih razmerjih med piridinmetanolom in silicijevim dioksidom, ki sta bili 2 : 1 in 1 : 1. Iz raztopine se je s pomočjo počasnega izhlapevanja topila pri sobni temperaturi izločil trden produkt. Ta je bil nato karakteriziran z infrardečo spektroskopijo, H in F jedrsko magnetno resonančno spektroskopijo, elementno analizo ter rentgensko strukturno analizo.The fundamental basis of the work is the synthesis and characterization of coordination compounds synthesized from some pyridinemethanols, more precisely from 2-pyridinemethanol, 3-pyridinemethanol and 4-pyridinemethanol with silicon dioxide. The syntheses were carried out in a solution of hydrofluoric acid, which was the reactant and solvent at the same time. The reactions were carried out in two different mass ratios between pyridinemethanol and silica, which were 2:1 and 1:1. A solid product was isolated from the solution by slow evaporation of the solvent at room temperature. The product was then characterized by infrared spectroscopy, H and F nuclear magnetic resonance spectroscopy, elemental analysis and X-ray structural analysis
Fluoridooksidovanadati nekaterih nukleinskih baz
Full text linkV okviru diplomskega dela sem sintetizirala dve novi spojini s fluoridooksidovanadatnimi anioni in nukleinskimi bazami kot kationi. Kot nukleinske baze sem uporabila adenin, gvanin in uracil. Soli so nastale pri reakciji med vanadijevim(V) oksidom, fluorovodikovo kislino in ustrezno nukleinsko bazo. Fluorovodikova kislina reagira s steklom, zato sem morala pri sintezah uporabljati plastični inventar. Nastale kristale sem karakterizirala z infrardečo spektroskopijo, nuklearno magnetno resonančno spektroskopijo, elementno CHN analizo in rentgensko strukturno analizo.Two new compounds containing fluoridooxidovanadate anion and nucleobases as cations have been synthesized. As nucleobases I used adenine, guanine and uracil. Salts were obtained by the reaction of vanadium(V) oxide, hydrofluoric acid and an appropriate nucleobase. Due to the reaction of hydrofluoric acid with glass I had to use a plastic labware for synthesis. The crystals which were obtained as products were characterized by infrared spectroscopy, nuclear magnetic resonance spectroscopy, elemental CHN analysis and X-ray structural analysis
PYRIDINEPROPANOL AS CATION IN SOME FLUORIDOMETALATE SALTS
No full textIzvedel sem reakcije s tremi različnimi piridinpropanoli kot so: 2-piridinpropanol, 3-piridinpropanol in 4-piridinpropanol, z nekaterimi oksidi in sicer s silicijevim dioksidom, titanovim dioksidom in vanadijevim(V) oksidom.
Reakcije sem izvajal v fluorovodikovi kislini v množinskih razmerjih med kovinskim oksidom in ustreznim piridinpropanolom 1:1 in 2:1. Po reakciji je potekala kristalizacija s pomočjo odhlapevanja topila, fluorovodikove kisline.
Nastale kristale sem analiziral z infrardečo spektroskopijo, nuklearno magnetno resonančno spektroskopijo in rentgensko strukturno analizo. Trem novim spojinam je bila določena kristalna struktura.I performed reactions between three different pyridinepropanols such as: 2-pyridinepropanol, 3-pyridinepropanol and 4-pyridinepropanol, with some oxides namely silicon dioxide, titanium dioxide and vanadium(V) oxide.
Reactions took place in hydrofluoric acid in molar ratio 1:1 and 1:2 between metallic oxide and corresponding pyridinepropanol. After the reaction the mixture was left for crystallisation in fume hood.
Crystallised products were analysed with infrared spectroscopy, nuclear magnetic resonance spectroscopy and X-ray structural analysis. Three new crystal structures were obtained
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