V. Kettmann

Comenius University Bratislava

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Ján Lokaj

Slovak University of Technology in Bratislava

Jan Světlík

Comenius University Bratislava

J. Sivý

Slovak University of Technology in Bratislava

Viktor Milata

Slovak University of Technology in Bratislava

Fridrich Gregáň

Matej Bel University

Viktor Vrábel

Slovak University of Technology in Bratislava

Juraj Krätsmár‐Šmogrovič

Comenius University Bratislava

E Răcanská

Comenius University Bratislava

JŠ

Jarmila Štetinová

Slovak University of Technology in Bratislava

R. Kada

Slovak University of Technology in Bratislava

Cooperative Institutions

Comenius University Bratislava

Slovak University of Technology in Bratislava

Slovak Academy of Sciences

Centre National de la Recherche Scientifique

Charles University

University of Veterinary Sciences Brno

Institute of Experimental Pharmacology and Toxicology of the Slovak Academy of Sciences

Institute of Chemistry of the Slovak Academy of Sciences

Institute of Chemical Technology

Institute of Inorganic Chemistry of the Slovak Academy of Sciences

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ChemInform Abstract: Oxyacanthine.

ChemInform (1996)

J. Siv́y V. Kettmann Daniela Košťálová V. Vrábel

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

10.1002/chin.199641217

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The crystal and molecular structure of the copper(II) bis(dialyldithiocarbamate) complex

Collection of Czechoslovak Chemical Communications (1984)

E. Kellö V. Kettmann J. Garaj

The crystal structure of {Cu[S 2 CN(C 3 H 5 ) 2 ] 2 } 2 was solved by the single crystal method of X-ray structural analysis. The substance crystallized as a dimer in the triclinic system with space group of PI and latice parameters a = 1.0161 (4), b =0.9294(4), c = 1.0518(3) nm, α = 77.46(3), β = 77.10(3), γ = 89.02(3)°. The structure was refined by the least squares method to a final value of R = 4.9% using all the 1 713 observed reflections. The crystal structure consists of dimeric molecules, where each pair of centrosymmetrically dependent Cu atoms lies at a distance of 0.3742 nm. The coordination polyhedron of the Cu atom is a tetragonal pyramid, where the four sulphur atoms lie at distances of Cu-S1 0.2314, Cu-S2 0.2309, Cu-S3 0.2324, Cu-S4 0.2328 and are approximately in a place from which the Cu atoms lies at a distance of 0.026 nm. The fifth, longer bond, Cu-S'4 0.2888 nm forms the apex of the tetragonal pyramid. In the streochemistry of the dithiocarbamate ligands of the studied substances there are no marked differences in the bond lengths and corresponding angles compared with the values for the solvent structures of the other dialkyl-dtc complexes. The lengths of the sulphur-carbon bonds lie in the range from 0.170 to 0.173 nm and both lengths of the C ( sp ) 2 - N ( sp 2 ) bonds equal to 0.134 and 0.133 nm indicate marked double bond character of the C-N bond. The S 2 CN ligand fragment is planar. In the alyl part of the ligand, the N-C bond lengths lie in the range 0.147-0.149 nm, the average C-C bond length is 0.149 nm and C=C bond length is 0.132 nm.

Triclinic crystal system

Tetragonal crystal system

Dithiocarbamate

Square pyramid

Crystal (programming language)

Molecular geometry

10.1135/cccc19842210

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Citations (10)

Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate

Acta Crystallographica Section C Crystal Structure Communications (1994)

Ján Lokaj V. Kettmann Viktor Vrábel Dušan Ilavský Viktor Milata

The substituted aminoethylenic group in the title compound, C 28 H 25 N 3 O 4 , is approximately coplanar with the heterocyclic plane [dihedral angle 16 (2)°] and the α-C atom C(23), is disordered between two well defined sites. This disorder originates from a flipping of the aminoethylenic moiety around the C(6)−N(5) bond. The phenyl rings at C(2) and C(3) are twisted out of the plane of the quinoxaline ring system by 46.7 (8) and 38.0 (9)°, respectively

Dihedral angle

Quinoxaline

Moiety

Malonate

10.1107/s0108270194001964

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Citations (3)

Structure of bis(diallyldithiocarbamato)nickel(II)

Acta Crystallographica Section B (1981)

Ján Lokaj F. Pavelčík V. Kettmann J. Masaryk Viktor Vrábel

10.1107/s0567740881004627

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Citations (9)

ChemInform Abstract: Synthesis and Local Anesthetic Activity-Lipophilicity Relationships for a Homological Series of Phenylcarbamic Acid Esters. Part 2.

ChemInform (1997)

Fridrich Gregáň Petr Švec V. Kettmann J. Siv́y

Lipophilicity

10.1002/chin.199717071

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Citations (1)

CCDC 150840: Experimental Crystal Structure Determination

The Cambridge Structural Database (2000)

V. Kettmann Jan Světlík

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/cc51yty

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Structure of 4-hydroxy-2,2,6,6-tetramethylpiperidinium hexanoate

Acta Crystallographica Section C Crystal Structure Communications (1989)

E. Kellö V. Kettmann Viktor Vrábel Ján Lokaj M. Karvaš

C 9 H 20 NO + •C 6 H 16 O 2 − cristallise dans P2 1 /n avec a=17,272, b=12,257 et c=7,884 A, β=104,67 o , Z=4; affinement jusqu'a R=0,060. Liaisons hydrogene etendues entre les cations et les anions conduisant a la formation de canaux paralleles a c. La piperidine a une conformation chaise considerablement deformee

Ethyl hexanoate

10.1107/s0108270189004397

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CCDC 130112: Experimental Crystal Structure Determination

The Cambridge Structural Database (1998)

Ján Lokaj V. Kettmann Viktor Milata R. Kada J. Ulrich

10.5517/cc4cd51

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2-(1-Methyl-1,2-dihydro-2-pyridylideneaminomethylene)propanedinitrile

Acta Crystallographica Section C Crystal Structure Communications (1998)

Ján Lokaj V. Kettmann Viktor Milata R. Kada J. Ulrich

The title compound, C10H8N4, belongs to a series of conjugated molecules that offer potential utilization as organic dyes. As indicated by the planarity of the molecule and the pattern of bond lengths and angles, a considerable amount of π-electron density is transferred from the dihydropyridineimine portion of the molecule to the cyano groups. The principal packing interaction seems to be π-π stacking of the heterocyclic rings.

Planarity testing

Organic molecules

10.1107/s0108270197017472

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Mixed-valence CuI–CuII complexes. Structure of cyanobis(1,10-phenanthroline)copper(II) bis(cyano)(1,10-phenanthroline)cuprate(I) pentahydrate

Acta Crystallographica Section C Crystal Structure Communications (1993)

M. Dunaj‐Jurčo Ivan Potočňák J. Cíbik M. Kabeŝová V. Kettmann

Reaction of Cu(NO 3 ) 2 , NH 4 OH, phen (1,10-phenanthroline) and KCN in the molar ratio 1:40:2:2 in water-ethanol solution gives a new mixed-valence complex of composition Cu 2 (phen) 3 (CN) 3.5 H 2 O. X-ray structure analysis reveals the composition [Cu II (phen) 2 (CN)] + [Cu I (phen)(CN) 2 ] - .5H 2 O with trigonal-bipyramidal and tetrahedral coordination for the divalent and univalent Cu atoms, respectively. The structure is built up of hydrated clusters comprising two formula units; the principal interactions within the cluster are hydrogen bonds between the water molecules and complex cations and anions

Phenanthroline

Divalent

10.1107/s0108270193001775

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Citations (4)