9 research outputs found
1,2-Diphenyl-2-(m-tolylamino)ethanone
The title compound, C21H19NO, belongs to the family of -aminoketones. The structure contains three benzene rings, two of which [the phenyl ring in the 1-position (B) and the methylaniline ring (A)] are nearly coplanar [dihedral angle = 5.4 (1)°], whereas the phenyl ring in the 2-position (C) is nearly normal to them [dihedral angles = 81.8 (1) and 87.0 (1)° for A/C and B/C, respectively]. The conformation of the N-H bond is syn to the C=O bond, favouring the formation of a centrosymmetric dimer of molecules in the crystal structure. The molecular packing is consolidated by this N-HO hydrogen-bonding network.Financial support by the Agencia Española de CooperaciĂłn Internacional y Desarrollo (AECID), FEDER funding, the Spanish MICINN (MAT2006â01997 and FactorĂa de CristalizaciĂłn Consolider Ingenio 2010) and the Gobierno del Principado de Asturias (PCTI) is acknowledged.Peer Reviewe
Pyridine-4-carbaldehyde 4-phenylsemicarbazone
12 påginas, 4 figuras, 1 tabla.In the title compound, C13H12N4O, the semicarbazone fragment links a benzene and a pyridine ring in the structure. The crystal packing is stabilized by strong intermolecular N-HO hydrogen bonds, which connect two molecules to form a synthon unit, and by N-HN hydrogen bonds and weak C-H interactions. The molecular conformation is stabilized by intramolecular N-HN and C-HO interactions.Financial support by the Agencia Española de Cooperación
Internacional y Desarrollo (AECID), FEDER funding, the
Spanish MICINN (MAT2006â01997, MAT2010-15094 and the
FactorĂa de CristalizaciĂłn Consolider Ingenio 2010), the
Gobierno del Principado de Asturias (PCTI), the University
of Oviedo and Banco Santander is acknowledged.Peer reviewe
Stereospecific ligands and their complexes. Part XIV. Crystal structure of the O,OâČ-dipropyl ester of N,NâČ-1,2-ethanediylbis- -L-leucine, dihydrochloride
Bidentate N,N'-ligand precursor, O,O'-dipropyl ester of (S,S)- ethylenediamine-N,N'-di-2-(4-methyl)-pentanoic acid dihydrochloride, [(S,S)- H4eddl]Cl2, was prepared and its crystal structure is given herein. It crystallizes in a P42 space group of tetragonal crystal system with a = 16.5620 (2) Ă
, b = 16.5620 (2) Ă
, c = 5.2240 (1) Ă
and Z = 2.The authors are grateful for the financial support to the Ministry of Education, Science and Technological Development of the Republic of Serbia (Project No. 172016).Peer reviewe
Stereospecific ligands and their complexes. Part XV. Synthesis, characterization and cytotoxicity of novel platinum(IV) complexes with some esters of ethylenediamine-N,,NâNâČ-di-S,,S-(2,2âČâ-dibenzyl)acetic acid. Crystal structure of O,,OâČâ-dipropyl-ethylenediamine--N,,NâČâ-di-S,,S-(2,2âČâ-dibenzyl)acetate dihydrochloride
et al.The synthesis of ethylenediamine-N,,NâČâ-di-S,,S-(2,2âČâ-dibenzyl)acetic acid (H2-S,,S-eddba) and its ethyl-, propyl-, butyl- esters (R2-S,,S-eddba) are reported here. The esters were used for synthesis of the corresponding platinum(IV) complexes, [PtCl4(R2-S,,S-eddba)]. The compounds were characterized by elemental analysis, infrared, 1H and 13C NMR spectroscopy. The structure of propyl ester of H2-S,,S-eddba was confirmed by single-crystal X-ray analysis. All [PtCl4(R2-S,,S-eddba)] complexes displayed significantly higher in vitro cytotoxicity in comparison to cisplatin.This work was supported by the Ministry of Education and Science of the Republic of Serbia, Projects No. 172016, 175069 and 172035.Peer Reviewe
Synthesis, characterization and crystal structure of butyl N-(3-chloropropyl)-(2S)-alaninate hydrochloride
The synthesis of butyl N-(3-chloropropyl)-(2S)-alaninate hydrochloride is reported here. The compound was characterized by elemental analysis, infrared, and 1H- and 13C-NMR spectroscopy. The structure of butyl N-(3- chloropropyl)-(2S)-alaninate hydrochloride was confirmed by single-crystal X-ray analysis.The authors are grateful for the financial support to the Ministry of Education, Science and Technological Development of the Republic of Serbia (Projects No. 172016 and 172035).Peer Reviewe
The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides
15 pĂĄginas, 19 figuras, 7 tablas.When N-unsubstituted indazoles, like indazole itself, reacted with 1-fluoro-2,4-dinitrobenzene or 1-chloro-2,4,6-trinitrobenzene, three products were obtained whose structures were determined by X-ray diffraction. Besides the two N-substituted nitroaryl derivatives, a third compound was obtained with the same molecular formula (C13H8N4O4) to which was assigned the structure of a derivative of benzotriazole N-oxide. With the combined use of crystallography, NMR and DFT calculations this reaction was studied with special stress on the mechanism of formation of the benzotriazole-N-oxide.This work was supported by the Spanish Ministerio de EconomĂa y Competitividad (MAT2010-15094, FactorĂa de CristalizaciĂłnâConsolider Ingenio 2010) and FEDER funding. We also thank the Ministerio de Ciencia e InnovaciĂłn (Project No. CTQ 2009-13129-C02-02) and the Comunidad AutĂłnoma de Madrid (Project MADRISOLAR2, ref. S2009/PPQ-1533) for continuing support. F. P. C. thanks the Spanish MICINN (Grants CTQ2010-16959 and Ingenio-Consolider CSD2007-00006) and the Basque Government (GV-EJ, Grant IT-324-07) for financial support.Peer reviewe
Structure and thermodynamical properties of metformin salicylate
The behavior under thermal conditions of the cocrystal formed by metformin and salicylic acid was studied by DSC, crystallography (single-crystal), and powder diffraction (WAXS). Metformin salicylate crystallizes in space group P21/c, with the salicylate anion showing a planar structure, stabilized by strong intramolecular hydrogen bonds. The more flexible metformin cations link through the oxygen atoms of salicylate, forming a dense hydrogen-bonding network. The compound exists initially as a salt, metformin salicylate, but after melting and cooling, it is transformed into a glass form that crystallizes and melts again, showing different behaviors depending on the heating rate. © 2013 American Chemical Society.This work was supported by SAF2009-12422-C02-02 and RTA (RED Trastornos Adictivos RD06/001/0014)
as well as by FEDER funding and the Spanish Ministerio de EconomiÌa y Competitividad MAT2006-01997, MAT2010-15094, and the FactoriÌa
de CrystalizacioÌn (Consolider Ingenio 2010).Peer Reviewe