scholarly journals Crystal structure of hexaaquadichloridoytterbium(III) chloride

2015 ◽  
Vol 71 (6) ◽  
pp. i5-i5 ◽  
Author(s):  
Kevin M. Knopf ◽  
Guy Crundwell ◽  
Barry L. Westcott
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Europium Complex ◽  
Coordination Geometry ◽  
Metal Centre ◽  
Acta Cryst ◽  
Twofold Axis ◽  
Acetonitrile Solutions

The crystal structure of the title compound, [YbCl2(H2O)6]Cl, was determined at 110 K. Samples were obtained from evaporated acetonitrile solutions containing the title compound, which consists of a [YbCl2(H2O)6]+cation and a Cl−anion. The cations in the title compound sit on a twofold axis and form O—H...Cl hydrogen bonds with the nearby Cl−anion. The coordination geometry around the metal centre forms a distorted square antiprism. The ytterbium complex is isotypic with the europium complex [Tambrorninoet al.(2014).Acta Cryst.E70, i27].

scholarly journals Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]cobalt(II)

2015 ◽  
Vol 71 (5) ◽  
pp. 452-454 ◽  
Author(s):  
Abdelhakim Laachir ◽  
Fouad Bentiss ◽  
Salaheddine Guesmi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Maximum Deviation ◽  
Coordination Geometry ◽  
Acta Cryst ◽  
Π Interactions ◽  
The Mean

In the mononuclear title complex, [Co(N3)2(C12H8N4S)2], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thiadiazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16) Å. The cohesion of the crystal is ensured by weak C—H...N hydrogen bonds and by π–π interactions between pyridine rings [intercentroid distance = 3.6356 (11) Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachiret al.(2013).Acta Cryst.E69, m351–m352].

scholarly journals Crystal structure of tetrakis[μ2-2-(dimethylamino)ethanolato-κ3N,O:O]di-μ3-hydroxido-dithiocyanato-κ2N-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate

2016 ◽  
Vol 72 (4) ◽  
pp. 489-491 ◽  
Author(s):  
Julia A. Rusanova ◽  
Valentyna V. Semenaka ◽  
Irina V. Omelchenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Complex Cation ◽  
Bidentate Ligand ◽  
Molecular Formula ◽  
Coordination Geometry ◽  
Acta Cryst ◽  
Acetonitrile Molecule ◽  
Main Structural Feature

The tetranuclear complex cation of the title compound, [Cr2Pb2(NCS)2(OH)2(C4H10NO)4](SCN)2·CH3CN, lies on an inversion centre. The main structural feature of the cation is a distorted seco-norcubane Pb2Cr2O6cage with a central four-membered Cr2O2ring. The CrIIIion is coordinated in a distorted octahedron, which involves two N atoms of one bidentate ligand and one thiocyanate anion, two μ2-O atoms of 2-(dimethylamino)ethanolate ligands and two μ3-O atoms of hydroxide ions. The coordination geometry of the PbIIion is a distorted disphenoid, which involves one N atom, two μ2-O atoms and one μ3-O atom. In addition, weak Pb...S interactions involving the coordinating and non-coordinating thiocyanate anions are observed. In the crystal, the complex cations are linked through the thiocyanate anionsviathe Pb...S interactions and O—H...N hydrogen bonds into chains along thecaxis. The chains are further linked togetherviaS...S contacts. The contribution of the disordered solvent acetonitrile molecule was removed with the SQUEEZE [Spek (2015).Acta Cryst.C71, 9–18] procedure inPLATON. The solvent is included in the reported molecular formula, weight and density.

Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S′)nickel(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2802-m2802 ◽  
Author(s):  
Yong Hou ◽  
Hongrong Zuo ◽  
Qian Huang ◽  
Chunlin Ni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Compound C ◽  
Square Planar

The title compound, (C5H12N)2[Ni(C4N2S2)2], is a new [Ni(mnt)2]2− salt (mnt2− is 1,2-dicyanoethene-1,2-dithiolate) with piperidinium [(PIH)+] cations. The NiII ion lies on an inversion centre and the asymmetric unit contains a (PIH)+ cation and one half of the [Ni(mnt)2]2− anion. The NiII ion exhibits a square-planar coordination geometry. In the crystal structure, weak C—H...N, C—H...S and C—H...Ni hydrogen bonds are observed between the anions and the cations.

Trimethylammonium perchlorate at 97 K

2006 ◽  
Vol 62 (4) ◽  
pp. o1321-o1322
Author(s):  
Kazuma Gotoh ◽  
Rie Ishikawa ◽  
Hiroyuki Ishida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Acta Cryst ◽  
Compound C

The crystal structure of the title compound, C3H10N+·ClO4 −, redetermined at 97 K, is isostructural with C3H10N+·BF4 − [Gotoh, Ishikawa & Ishida (2005). Acta Cryst. E61, o4016–o4017]. Both the cation and the anion lie on a mirror plane and are connected by N—H...O and C—H...O hydrogen bonds.

scholarly journals Diisonicotinium pentachloridoantimonate(III) monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m683-m683 ◽  
Author(s):  
Li-Zhuang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Compound C ◽  
Dimensional Network

In the title compound, (C6H6NO2)2[SbCl5]·H2O, the SbIIIatom exhibits a distorted square-pyramidal coordination geometry. The crystal structure is stabilized by intermolecular N—H...Cl, N—H...O, O—H...Cl and O—H...O hydrogen bonds, forming an extended three-dimensional network.

scholarly journals Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1′-biphenyl]-4′,2-diyl]}porphyrinato)nickel(II) dichloromethane x-solvate (x > 1/2) showing a rare CN5 coordination

2019 ◽  
Vol 75 (8) ◽  
pp. 1180-1184 ◽  
Author(s):  
Florian Gutzeit ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Apical Position ◽  
Acta Cryst ◽  
Solvent Molecules ◽  
Hydrogen Bonded

The crystal structure of the title compound, [Ni(C63H31F10N5S2)]·xCH2Cl2 (x > 1/2), consists of Ni–porphyrin complexes that are located in general positions and dichloromethane solvent molecules that are disordered around centers of inversion. The NiII ions are in a square-pyramidal (CN5) coordination, with four porphyrin N atoms in the equatorial and a pyridine N atom in the apical position and are shifted out of the porphyrine N4 plane towards the coordinating pyridine N atom. The pyridine substituent is not exactly perpendicular to the N4 plane with an angle of intersection between the planes planes of 80.48 (6)°. The dichloromethane solvent molecules are hydrogen bonded to one of the four porphyrine N atoms. Two complexes are linked into dimers by two symmetry-equivalent C—H...S hydrogen bonds. These dimers are closely packed, leading to cavities in which additional dichloromethane solvent molecules are embedded. These solvent molecules are disordered and because no reasonable split model was found, the data were corrected for disordered solvent using the PLATON SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18].

scholarly journals Crystal structure of a 1:1 adduct of triphenyltin chloride with 3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one

2019 ◽  
Vol 75 (3) ◽  
pp. 338-341
Author(s):  
Hemant P. Yennawar ◽  
John Tierney ◽  
Kevin C. Cannon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Title Compound ◽  
Chloride Anion ◽  
Dihedral Angles ◽  
Coordination Geometry ◽  
Ring Plane ◽  
Trigonal Bipyramidal ◽  
Triphenyltin Chloride

In the centrosymmetric (racemic) title compound, chlorido(3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one-κO)triphenyltin(IV), [Sn(C6H5)3Cl(C15H19NOS)], the tin(IV) atom exhibits a trigonal–bipyramidal coordination geometry with the three phenyl groups in equatorial positions and the chloride anion and ligand oxygen atom present at axial sites [O—Sn—Cl = 175.07 (14)°]. The thiazolidinone ring of the ligand adopts an envelope conformation with the S atom as the flap. The dihedral angles between the heterocycle ring plane (all atoms) are 44.3 (9)° with respect to the pendant C-phenyl plane and 34.3 (11)° to the N-cyclohexyl ring (all atoms). The C-phenyl and N-cyclohexyl ring are close to orthogonal to each other, with a dihedral angle of 81.1 (4)° between them. In the crystal, molecules are linked by weak C—H...Cl hydrogen bonds to generate [001] chains.

scholarly journals Poly[[{μ4-2,2′-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole)}silver(I)] perchlorate sesquihydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m845-m845
Author(s):  
Jia-Jia Li ◽  
Wei-Min Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Coordination Geometry

In the polymeric title compound, {[Ag(C8H10N4S4)]ClO4·1.5H2O} n , the AgI atom has a slightly distorted trigonal-planar coordination geometry provided by three N-atom donors from the thiadiazole rings of three symmetry-related 2,2′-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole) ligands. Centrosymmetrically related AgI atoms are bridged by the N–N fragments of rings, forming six-membered dinuclear metallacycles, which are further linked by the alkyl spacers of the thiadiazole ligands into a layer network extending parallel to (0-21). The crystal structure is stabilized by intermolecular O—H...O hydrogen bonds. The O atoms of the perchlorate anion and one water molecule are disordered over two sets of sites with refined occupancy ratios of 0.640 (6):0.360 (6) and 0.663 (11):0.337 (11), respectively. The second water molecule shows half-occupancy.

scholarly journals (μ2-Adipato-κ4O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (9) ◽  
pp. 1363-1367
Author(s):  
Wannur Sofiasalamah Khairiah A. Rahman ◽  
J. Ahmad ◽  
Siti Nadiah Abdul Halim ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Aqua Ligand ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Coordination Geometry ◽  
Distorted Octahedral ◽  
Monodentate Ligands

The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2—CH2bond of the adipate dianion; the latter chelates a CdIIatom at each end. Along with two carboxylate-O atoms, the CdIIion is coordinated by the two N atoms of the chelating benzene-1,2-diamine ligand, a Cl−anion and an aqua ligand to define a distorted octahedral CdClN2O3coordination geometry with the monodentate ligands being mutuallycis. The disparity in the Cd—N bond lengths is related to the relativetranseffect exerted by the Cd—O bonds formed by the carboxylate-O and aqua-O atoms. The packing features water-O—H...O(carboxylate) and benzene-1,2-diamine-N—H...Cl hydrogen bonds, leading to layers that stack along thea-axis direction. The lack of directional interactions between the layers is confirmed by a Hirshfeld surface analysis.

scholarly journals 5-Methylspiro[indoline-3,7′-[6H,7H,8H]pyrano[3,2-c:5,6-c′]di[1]benzopyran]-2,6′,8′-trione chloroform hemisolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1194-o1194
Author(s):  
Abdulrahman I. Almansour ◽  
Raju Suresh Kumar ◽  
Natarajan Arumugam ◽  
R. Vishnupriya ◽  
J. Suresh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyran Ring ◽  
Acta Cryst ◽  
Compound C ◽  
Supramolecular Layer

In the title compound, C27H15NO6·0.5CHCl3, the central pyran ring and both the benzopyran systems are planar, with the dihedral angle between the outer rings being 3.24 (6)°. The indolin-2-one system is in a perpendicular configuration with respect to the pyran ring [dihedral angle = 87.58 (2)°]. Supramolecular layers in theacplane are formed in the crystal structure whereby inversion-related molecules are connected by N—H...O hydrogen bonds. These are further linked by C—H...O interactions, forming a supramolecular layer in theacplane. Disordered CHCl3solvent in the structure was modelled with the SQUEEZE routine inPLATON[Spek (2009).Acta Cryst.D65, 148–155].

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