Search results for "Formamide"
showing 10 items of 308 documents
Applications of level shift corrected perturbation theory in electronic spectroscopy
1996
Abstract Multiconfigurational second-order perturbation theory (CASPT2) with a level shift technique used to reduce the effect of intruder states has been tested for applications in electronic spectroscopy. The following molecules have been studied: formamide, adenine, stilbene, Ni(CO) 4 , and a model compound for the active site in the blue copper protein plastocyanin, Cu(Im) 2 (SH)(SH 2 ) + . The results show that the level shift technique can be used to remove the effects of the intruder states in all these molecules. In some cases a drift in the energies as a function of the level shift is observed, which however is small enough that the normal error bar for CASPT2 excitation energies (…
Struktur-Wirkungs-Beziehungen bei Histaminanaloga, 13. Mitt.: 5(4)-Cyclisch substituierte Histamine und Nα-Methyl-histamine
1976
Es wird die Darstellung von 5(4)-cyclisch substituierten Histaminen und Nα-Methyl-histaminen durch Cyclisierung von 1-aryl-substituierten 2-Brom-4-phthalimido-butan-1-onen mit Formamid oder Benzamidin und anschliesende Hydrolyse bzw. Reduktion der Zwischenprodukte beschrieben. C-5(4) Cyclic Substituted Histamines and Nα-Methylhistamines The preparation of C-5(4) cyclic substituted histamines and Nα-methylhistamines by cyclisation of 1-aryl-2-bromo-4-phthalimidobutan-1-ones with formamide or benzamidine, followed by hydrolysis or reduction of the intermediates, is described.
Diuretika, 3. Mitt. 1-Carbocyclisch und heterocyclisch substituierte 4-Aminopyrazolo[3,4-d]pyrimidine
1981
In Anlehnung an das diuretisch wirksame 4,6-Diamino-1-(2-pyridyl)-1H-pyrazolo[3,4-d]pyrimidin wurden durch Kondensation der 5-Amino-4-cyanpyrazole 1a–g mit Formamid (2) die korrespondierenden 4-Aminopyrazolo[3,4-d]pyrimidine 3a–g dargestellt. Diuretics, III: 4-Aminopyrazolo[3,4-d]pyrimidines with Carbocyclic or Heterocyclic Substituents at N-1 As analogues of the diuretically active 4,6-diamino-1-(2-pyridyl)-1H-pyrazolo[3,4-d]pyrimidine, the 4-aminopyrazolo[3,4-d]pyrimidines 3a–g were prepared by condensation of the 5-amino-4-cyanopyrazoles 1a–g with formamide (2).
Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-di…
2018
Reaction of N-(4-chlorobenzenesulfonyl)glycinyl hydrazide with 4-nitrobenzaldehyde gives the N,N-dimethylformamide monosolvated N-acylhydrazone derivative, (E)-N-{2-[2-(4-nitrobenzylidene)- hydrazine-1-yl]-2-oxoethyl}-4-χhlorobenzenesulfonamide. Rings of (10) and (11) graph-set motifs are formed in the crystal structure by N—H⋯O and C—H⋯O hydrogen bonds. The two-dimensional fingerprint (FP) plots for significant intermolecular interactions indicate that the greatest contribution is from the O⋯H/H⋯O contacts (31.3%), corresponding to N⋯H⋯O/C⋯H⋯O interactions.
Modulation of N···I and +N−H···Cl−···I Halogen Bonding: Folding, Inclusion, and Self-Assembly of Tri- and Tetraamino Piperazine Cyclophanes
2010
The acidity of the crystallization conditions was successfully employed in modulating the balance between the robust intramolecular hydrogen bonding (HB) and intermolecular halogen bonding (XB) observed in large tri- (1) and tetraamino (2) piperazine cyclophanes. A careful crystallization of the title XB acceptor cyclophanes with a strong bidentate XB donor 1,4-diiodotetrafluorobenzene (F4DIB) from CHCl3:MeOH, dimethylformamide (DMF), or HCl:H2O:EtOH resulted in X-ray quality crystals of 1·F4DIB, 2@DMF, 2·2@F4DIB, [1H3]Cl3·(F4DIB)6, and [2H6]Cl6·(F4DIB)2. The intramolecular hydrogen bonding pattern in 1 and 2 was retained in neutral protic and aprotic solvents, and regular N−H···N hydrogen …
Topologically Controlled Interpolyelectrolyte Complexes
2008
The complexation of a cylindrical polyelectrolyte−brush−surfactant complex (PMMPSS−C12) and an oppositely, highly charged cylindrical polyelectrolyte−brush (PMMPEI−PEO) in dimethylformamide (DMF) l...
Ligand substitution in hexahalorhenate(IV) complexes: Synthesis, crystal structures and magnetic properties of NBu4[ReX5(DMF)] (X=Cl and Br)
2006
Abstract The preparation, crystal structures, and magnetic properties of two rhenium(IV) mononuclear compounds of formula NBu 4 [ReX 5 (DMF)] ( NBu 4 + = tetrabutylammonium cation and DMF = N , N - dimethylformamide ) with X = Cl ( 1 ) and Br ( 2 ) are reported. 1 and 2 are isostructural complexes which crystallize in the monoclinic system with the space group P 2 1 / n . The rhenium atom is six-coordinated with five X atoms and a DMF molecule forming a somewhat distorted octahedral surrounding [values of Re–X varying in the ranges 2.317(1)–2.358(1) ( 1 ) and 2.495(1)–2.518(1) A ( 2 )]. Magnetic susceptibility measurements on samples of 1 and 2 in the temperature range 1.9–300 K are interpr…
Solvent-modulated structures in anilato-based 2D coordination polymers
2017
Abstract This work highlights the key role of the solvents in the structures of the series of 2D compounds [Ln2(C6O4Br2)3·(Solvent)n]·G (G = Guest). This study is based on the affinity and ability of these solvents to coordinate to lanthanides and on their possibility to act as solvation molecules. For this purpose here we focus on the Er(III) ion and on the bromanilato bridging ligand ([C6O4Br2]2− = dianion of 3,6-dibromo-2,5-dihydroxy-1,4-benzoquinone) and we play with three solvents: H2O, DMSO (dimethylsulfoxide) and DMF (dimethylformamide). Here we report the synthesis, crystal structure and magnetic characterization of compounds [Er2(C6O4Br2)3(H2O)6]·12H2O (1), [Er2(C6O4Br2)3(DMSO)4]·2…
Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.
2018
We show the key role that the size and shape of the solvent molecules may play in the dimensionality and structure of a series of lanthanoid–chloranilato coordination polymers. We report the synthesis, structure and magnetic properties of six different coordination polymers prepared with Er(III) and chloranilato (C6O4Cl22− = 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone) and six different solvents: [Er2(C6O4Cl2)3(H2O)6]·10H2O (1), [Er2(C6O4Cl2)3(FMA)6]·4FMA·2H2O (2) (FMA = formamide = NH2CHO), [Er2(C6O4Cl2)3(DMSO)4]·2DMSO·2H2O (3) (DMSO = dimethy sulfoxide = Me2SO), [Er2(C6O4Cl2)3(DMF)6] (4) (DMF = dimethylformamide = Me2NCHO), [Er2(C6O4Cl2)3(DMA)4] (5) (DMA = dimethylacetamide = Me2NC(Me)O) …
Novel Lipophilic Lanthanide Bis-Phthalocyanines Functionalized by Pentadecylphenoxy Groups: Synthesis, Characterization and UV-Photostability
2012
Novel sandwich-type phthalocyanines containing a rare earth metal core (Pr, Nd, Eu-Lu) and macrocycles peripherally substituted by pentadecylphenoxy groups were synthesized using a cardanol-based phthalonitrile precursor and the respective lanthanide acetate. Additionally, the metal free-base analog compound was studied for comparison. The purified reaction products were all found to be thick and viscous substances at room temperature, showing liquid crystalline behavior with a distinct increase in fluidity at ca. 40 ° C. The complexes are readily soluble in chloroalkyl solvents and dissolve fairly well in DMF with some tendency to form aggregates. Besides they are strongly hydrophobic and …