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 Cooperación Internacional y Desarrollo (AECID), FEDER funding, the Spanish MICINN (MAT2006–01997 and Factoría de Cristalización Consolider Ingenio 2010) and the Gobierno del Principado de Asturias (PCTI) is acknowledged.Peer Reviewe

Pyridine-4-carbaldehyde 4-phenylsemicarbazone

12 páginas, 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 (MAT2006–01997, MAT2010-15094 and the Factoría de Cristalización 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,O′-dipropyl ester of N,N′-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) Å, b = 16.5620 (2) Å, c = 5.2240 (1) Å 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,,N’N′-di-S,,S-(2,2′’-dibenzyl)acetic acid. Crystal structure of O,,O′’-dipropyl-ethylenediamine--N,,N′’-di-S,,S-(2,2′’-dibenzyl)acetate dihydrochloride

et al.The synthesis of ethylenediamine-N,,N′’-di-S,,S-(2,2′’-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 páginas, 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 Economía y Competitividad (MAT2010-15094, Factoría de Cristalización–Consolider Ingenio 2010) and FEDER funding. We also thank the Ministerio de Ciencia e Innovación (Project No. CTQ 2009-13129-C02-02) and the Comunidad Autónoma 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 Economía y Competitividad MAT2006-01997, MAT2010-15094, and the Factoría de Crystalización (Consolider Ingenio 2010).Peer Reviewe