scholarly journals Crystal structure of μ-oxalato-κ2O1:O2-bis[(dimethyl sulfoxide-κO)triphenyltin(IV)]

2017 ◽  
Vol 73 (7) ◽  
pp. 1033-1036
Author(s):  
Serigne Fallou Pouye ◽  
Ibrahima Cisse ◽  
Libasse Diop ◽  
Alessandro Dolmella ◽  
Sylvain Bernès
Keyword(s):  
Dimethyl Sulfoxide ◽  
Reaction Medium ◽  
Dmso Molecule ◽  
Title Complex ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Disordered System ◽  
Group Type ◽  
Trigonal Bipyramidal ◽  
Phenyl Rings

In the previously reported [C2O4(SnPh3)2] complex [Diopet al.(2003).Appl. Organomet. Chem.17, 881–882.], the SnIVatoms are able to formally complete their coordination by addition of dimethyl sulfoxide (DMSO) molecules provided by the reaction medium, affording the title complex, [Sn2(C6H5)6(C2O4)(C2H6OS)2]. The SnIVatoms are then pentacoordinated, with a commontranstrigonal–bipyramidal arrangement. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry in space group typeC2/c. The inversion centre is placed at the mid-point of the central bis-monodentate oxalate dianion, C2O42−, which bridges the [(SnPh3)(DMSO)] moieties. The molecule crystallizes as a disordered system, with two phenyl rings disordered by rotation about their Sn—C bonds, while the DMSO molecule is split over two positions due to a tetrahedral inversion at the S atom. All disordered parts were refined with occupancies fixed of 0.5.

scholarly journals Monoclinic polymorph of chlorido(dimethyl sulfoxide-κO)triphenyltin(IV)

2018 ◽  
Vol 74 (2) ◽  
pp. 163-166 ◽  
Author(s):  
Serigne Fallou Pouye ◽  
Ibrahima Cissé ◽  
Libasse Diop ◽  
Francisco Javier Ríos-Merino ◽  
Sylvain Bernès
Keyword(s):  
Dimethyl Sulfoxide ◽  
Dmso Molecule ◽  
Relative Orientation ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Phenyl Rings ◽  
Orthorhombic Cell ◽  
Long Time ◽  
Monoclinic Cell

The crystal structure of the title tin complex, [Sn(C6H5)3Cl(C2H6OS)], (I), has been reported with one molecule in the asymmetric unit in an orthorhombic cell [Kumar et al. (2009). Acta Cryst. E65, m1602–m1603]. While using SnPh3Cl as a starting material for a reaction for which the products were recrystallized over a very long time (six months) from dimethyl sulfoxide (DMSO), a new polymorph was obtained for (I), with two independent molecules in the asymmetric unit of a monoclinic cell. The coordination geometry of the Sn centres remains unchanged, with the Cl− ion and the DMSO molecule in the apical positions and the phenyl C atoms in the equatorial positions of a trigonal bipyramid. The main difference between the polymorphs is the relative orientation of the phenyl rings in the equatorial plane, reflecting a degree of free rotation of these groups about their Sn—C bonds. In the crystal, molecules are linked into [010] chains mediated by weak C—H...O interactions.

scholarly journals Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)

2017 ◽  
Vol 73 (2) ◽  
pp. 273-277 ◽  
Author(s):  
A. K. Fazlur Rahman ◽  
Miles Wilklow-Marnell ◽  
William W. Brennessel ◽  
William D. Jones
Keyword(s):  
Title Complex ◽  
Asymmetric Unit ◽  
Large Excess ◽  
Orthorhombic Space Group ◽  
Slow Cooling ◽  
Hexagonal Packing ◽  
Trigonal Bipyramidal ◽  
Chloride Ligand ◽  
Packing Arrangement ◽  
Coordinate Geometry

The title complex, [IrCl(C8H12)2], was synthesized directly from the reaction of IrCl3·3H2O with a large excess of cod (cod = cycloocta-1,5-diene) in alcoholic solvent. Large yellow needles were obtained by the slow cooling of a hot solution. Based on the positions of the chloride ligand and the mid-points of the four C=C bonds, the molecule adopts a five-coordinate geometry that is midway between square pyramidal and trigonal bipyramidal. The material crystallizes in the orthorhombic space groupPbcawith one molecule per asymmetric unit in a general position and shows no significant intermolecular interactions. Individual molecules are aligned along [010], and these rows form a pseudo-hexagonal packing arrangement.

scholarly journals trans-Bis(dimethyl sulfoxide-κO)bis(3-nitrobenzohydroxamato-κ2 O,O′)zinc(II)

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Bruna Lisboa Gonçalves ◽  
Samantha Oliveira Monteiro ◽  
Roberta Cargnelutti ◽  
Juliano Rosa de Menezes Vicenti
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Single Crystals ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Title Complex ◽  
Dmso Solution ◽  
Asymmetric Unit ◽  
Dimensional Crystal

Single crystals of the title complex, [Zn(C7H5N2O4)2(C2H6OS)2] or [Zn(NBZH)2(DMSO)2], were isolated from a dimethyl sulfoxide (DMSO) solution containing [Zn(NBZH)2]·2H2O (NBZH = 3-nitrobenzohydroxamate anion). The asymmetric unit comprises of one O,O′-chelating NBZH anion, one O-bound DMSO ligand and one zinc(II) cation localized on an inversion centre. The three-dimensional crystal packing includes N—H...O and C—H...O hydrogen bonding, as well as O...H and H...H contacts identified by Hirshfeld isosurface analysis.

scholarly journals Diaquabis(pyrazine-2-carboxamide-κ2N1,O)cobalt(II) dinitrate

2012 ◽  
Vol 68 (4) ◽  
pp. m512-m513
Author(s):  
Ajay Pal Singh Pannu ◽  
Seona Lee ◽  
Yongjae Lee
Keyword(s):  
Metal Ion ◽  
Title Complex ◽  
Water Molecules ◽  
Nitrate Anion ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Coordinated Water

The asymmetric unit of the title complex, [Co(C5H5N3O)2(H2O)2](NO3)2, contains one half of a CoIIcationic unit and a nitrate anion. The entire [Co(C5H5N3O)2(H2O)2]2+cationic unit is completed by the application of inversion symmetry at the CoIIsite, generating a six-coordinate distorted octahedral environment for the metal ion. The chelating pyrazine-2-carboxamide molecules are bound to cobaltviaN and O atoms, forming a square plane, while the remaining twotranspositions in the octahedron are occupied by two coordinated water molecules.

Pseudosymmetry in a cyclopalladated compound

2012 ◽  
Vol 68 (8) ◽  
pp. m223-m225 ◽  
Author(s):  
William Raven ◽  
Irmgard Kalf ◽  
Ulli Englert
Keyword(s):  
Title Complex ◽  
Unit Cell ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Enantiomerically Pure ◽  
Space Group ◽  
Hydrogen Bonded

The enantiomerically pure title complex, [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ2C1,N]chlorido(quinoline-κN)palladium(II) acetone hemisolvate, [Pd(C8H10N)Cl(C9H7N)]·0.5C3H6O, crystallizes with four molecules of the organopalladium complex and two molecules of acetone in the asymmetric unit. This corresponds to a discrete hydrogen-bonded aggregate and to the content of the unit cell in the space groupP1. Pronounced pseudo-inversion symmetry relates pairs of these objects in the asymmetric unit.

scholarly journals Bis[μ-2-(2H-benzotriazol-2-yl)-4-methylphenolato]bis[dimethylaluminium(III)]

2009 ◽  
Vol 65 (6) ◽  
pp. m670-m670 ◽  
Author(s):  
Chen-Yu Li ◽  
Chia-Her Lin ◽  
Bao-Tsan Ko
Keyword(s):  
Title Complex ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The title complex, [Al2(CH3)4(C13H10N3O)2], is dimeric, bridged through the O atoms of the phenolate anions. The asymmetric unit contains one half of the molecule and there is a crystallographic inversion centre in this molecule. Each Al atom is pentacoordinated by one N atom and two bridging O atoms of twoN,O-bidentate benzotriazolylphenolate ligands and by two C atoms from two methyl groups, forming a distorted trigonal–bipyramidal environment.

Bis{μ-2,2′-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)–dimethyl sulfoxide–methanol (2/0.18/0.82)

2013 ◽  
Vol 69 (10) ◽  
pp. 1116-1119 ◽  
Author(s):  
Rudy L. Luck ◽  
Travis A. Olds ◽  
Matthias Zeller
Keyword(s):  
Crystal Structure ◽  
Coordination Chemistry ◽  
Dimethyl Sulfoxide ◽  
Cluster Structure ◽  
Metallic Cluster ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Trigonal Bipyramidal ◽  
Zinc Thiolate ◽  
Distorted Trigonal Bipyramidal

The asymmetric unit in the crystal structure of the title compound, [Zn2(C16H14N2S2)2]2·0.18C2H6OS·0.82CH3OH, consists of two ordered bis{μ-2,2′-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II) molecules and a disordered solvent combination at the same location which refined to 18.1 (7)% dimethyl sulfoxide and 81.9 (7)% methanol. The compound has a metallic cluster structure formed by the joining together of two zinc(II) complex molecules, forming a rhomboidal Zn2S2arrangement. This complex was previously suggested on the basis of nonstructural evidence to be a monomer [Jadamus, Fernando & Freiser (1964).J. Am. Chem. Soc.86, 3056–3059]. Each ZnIIatom is five-coordinated and exhibits distorted trigonal bipyramidal geometry. The structure may be of interest with respect to zinc–thiolate bonds, the coordination chemistry of Schiff bases and the folding of proteins. The structure displays weak intermolecular C—H...S, C—H...O and C—H...N interactions, and contains a unique bonding arrangement of the ligands around the Zn2S2rhomboid.

scholarly journals Poly[[(μ2-4,4′-bipyridyl-κ2N:N′)bis{μ2-N-[2-(2-hydroxybenzoyl)carbamothioyl]acetamidato-κ4O,N,O′:S}bis(nitrato-κ2O,O′)dicadmium] dimethylformamide tetrasolvate]

2013 ◽  
Vol 69 (12) ◽  
pp. m647-m648
Author(s):  
Ming-Hua You ◽  
Fo-Jun Li ◽  
Xiao-Ping Yang ◽  
Xu-Xiang Lin ◽  
Hua-Yan Ye
Keyword(s):  
Three Dimensional ◽  
Title Complex ◽  
Nitrate Anion ◽  
Inversion Symmetry ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Polymeric Chains ◽  
Solvent Molecules

The asymmetric unit of the title complex, {[Cd2(C10H10N3O3S)2(C10H8N2)(NO3)2]·4C3H7NO}n, consists of one CdIIcation, oneN-[2-(2-hydroxybenzoyl)carbamothioyl]acetamidate ligand, half a 4,4′-bipyridyl ligand, one coordinating nitrate anion and two dimethylformamide solvent molecules of crystallization. The bipyridine ligand is completed by inversion symmetry. The metal cation exhibits a distorted pentagonal–bipyramidal coordination geometry provided by two O and one N atoms of the thiosemicarbazide ligand, two O atoms of the nitrate anion, one S atom of a neighbouring thiosemicarbazide ligand and one 4,4′-bipyridine N atom. The bridging role of the thiosemicarbazide ligand through the S atom leads to centrosymmetric binuclear units, which are further linked by 4,4′-bipyridine units, forming polymeric chains extending along theb-axis direction. An intramolecular N—H...O hydrogen bond occurs. The crystal structure also features N—H...O and O—H...O hydrogen bonds, leading to the formation of a three-dimensional network.

scholarly journals Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. o795-o796 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Dimethyl Sulfoxide ◽  
The Other ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean ◽  
Solvent Molecules

In the asymmetric unit of the title compound, C16H14N4O3·C2H6OS, there are two independent main molecules (AandB) and two dimethyl sulfoxide solvent molecules. In moleculeA, the pyran ring is in a flattened sofa conformation, with thesp3-hydridized C atom forming the flap. In moleculeB, the pyran ring is in a flattened boat conformation, with thesp3-hydridized C atom and the O atom deviating by 0.073 (3) and 0.055 (3) Å, respectively, from the plane of the other four atoms. The mean planes the pyrazole and phenyl rings form dihedral angles of 84.4 (2) and 84.9 (2)°, respectively, for moleculesAandB. In the crystal, N—H...O and N—H...N hydrogen bonds link the components of the structure into chains along [010]. In both solvent molecules, the S atoms are disordered over two sites, with occupancy ratios of 0.679 (4):0.321 (4) and 0.546 (6):0.454 (6).

scholarly journals Crystal structure ofcis,fac-{N,N-bis[(pyridin-2-yl)methyl]methylamine-κ3N,N′,N′′}dichlorido(dimethyl sulfoxide-κS)ruthenium(II)

2015 ◽  
Vol 71 (9) ◽  
pp. m169-m170
Author(s):  
Kasey Trotter ◽  
Navamoney Arulsamy ◽  
Elliott Hulley
Keyword(s):  
Dimethyl Sulfoxide ◽  
Complex Molecule ◽  
Title Complex ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
The Mean ◽  
Chloride Ligands

The reaction of dichloridotetrakis(dimethyl sulfoxide)ruthenium(II) withN,N-bis[(pyridin-2-yl)methyl]methylamine affords the title complex, [RuCl2(C13H15N3)(C2H6OS)]. The asymmetric unit contains a well-ordered complex molecule. TheN,N-bis[(pyridin-2-yl)methyl]methylamine (bpma) ligand binds the cation through its two pyridyl N atoms and one aliphatic N atom in a facial manner. The coordination sphere of the low-spind6RuIIis distorted octahedral. The dimethyl sulfoxide (dmso) ligand coordinates to the cation through its S atom and iscisto the aliphatic N atom. The two chloride ligands occupy the remaining sites. The bpma ligand is folded with the dihedral angle between the mean planes passing through its two pyridine rings being 64.55 (8)°. The two N—Ru—N bite angles of the ligand at 81.70 (7) and 82.34 (8)° illustrate the distorted octahedral coordination geometry of the RuIIcation. Two neighboring molecules are weakly associated through mutual intermolecular hydrogen bonding involving the O atom and one of the methyl groups of the dmso ligand. One of the chloride ligands is also weakly hydrogen bonded to a pyridyl H atom of another molecule.

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