Bis[2-(2,4-dioxopentan-3-ylidene-κO)-1-(4-methoxyphenyl)hydrazinato-κN 1]copper(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m670-m672 ◽  
Author(s):  
Desmond A. Mac-Leod-Carey ◽  
Carlos Bustos ◽  
Eduardo Schott ◽  
Luis Alvarez-Thon ◽  
Mauricio Fuentealba
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral

Molecules in the title compound, [Cu(C12H13N2O3)2], are linked via weak C—H...O and C—H...π(arene) interactions into a three-dimensional network. The Cu atom lies on an inversion centre, and therefore the asymmetric unit contains half a formula unit. The coordination geometry about the Cu atom can be described as tetragonally distorted octahedral.

scholarly journals Crystal structure of bis(pyridine-4-carbothioamide-κN1)bis(thiocyanato-κN)cobalt(II) methanol monosolvate

2017 ◽  
Vol 73 (11) ◽  
pp. 1786-1789 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Methanol Molecule ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Host Structure

The asymmetric unit of the title compound, [Co(NCS)2(C6H6NS)4]·CH3OH, consists of one cobalt(II) cation, two thiocyanate anions, four pyridine-4-carbothioamide ligands and one methanol molecule that are located in general positions. The CoIIcations are coordinated by two terminal N-bonding thiocyanate anions and four N-bonding pyridine-4-carbothioamide ligands, resulting in discrete and slightly distorted octahedral complexes. These complexes are linked into a three-dimensional networkviaintermolecular N—H...S hydrogen bonding between the amino H atoms and the thiocyanate and pyridine-4-carbothioamide S atoms. From this arrangement, channels are formed in which the methanol solvate molecules are embedded and linked to the host structure by intermolecular O—H...S and N—H...O hydrogen bonding.

scholarly journals Crystal structure of bis(μ-{2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanido-κ3 N,O,S){2,2′-[(3,4-dithiahexane-1,6-diyl)bis(nitrilomethanylylidene)]bis(4-bromophenolato)-κ4 O,N,N′,O′}dicobalt(III) dimethylformamide monosolvate

2019 ◽  
Vol 75 (6) ◽  
pp. 863-866
Author(s):  
Julia A. Rusanova ◽  
Vladimir N. Kokozay ◽  
Olena Bondarenko
Keyword(s):  
Crystal Structure ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Van Der Waals Radii ◽  
Spontaneous Oxidation

The title binuclear CoIII complex, [Co2(C9H8BrNOS)2(C18H16Br2N2O2S2)]·C3H7NO, with a Schiff base ligand formed in situ from cysteamine (2-aminoethanethiol) and 5-bromosalicylaldehyde crystallizes in the space group P21. It was found that during the synthesis the ligand undergoes spontaneous oxidation, forming the new ligand H2 L′ having an S—S bond. Thus, the asymmetric unit consists of one Co2(L)2(L′) molecule and one DMF solvent molecule. Each CoIII ion has a slightly distorted octahedral S2N2O2 coordination geometry. In the crystal, the components are linked into a three-dimensional network by several S... Br, C... Br, C—H...Br, short S...C (essentially shorter than the sum of the van der Waals radii for the atoms involved) contacts as well by weak C—H...O hydrogen bonds. The crystal studied was refined as an inversion twin.

scholarly journals Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate

2015 ◽  
Vol 71 (6) ◽  
pp. m139-m140 ◽  
Author(s):  
Atim Johnson ◽  
Justina Mbonu ◽  
Zahid Hussain ◽  
Wan-Sin Loh ◽  
Hoong-Kun Fun
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Anionic Complex ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Cationic Complex ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
The Mean

The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 CoIIions (one anionic complex and one half cationic complex) and one water molecule. In the cationic complex, the CoIIatom is located on an inversion centre and is coordinated by two triazolium cations and four water molecules, adopting an octahedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water molecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the CoIIion is six-coordinated by two N and four O atoms of the two pyridine-2,6-dicarboxylate anions, exhibiting a slightly distorted octahedral coordination geometry in which the mean plane of the two pyridine-2,6-dicarboxylate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2)°. In the crystal, molecules are linked into a three-dimensional networkviaC—H...O, C—H...N, O—H...O and N—H...O hydrogen bonds.

Poly[(μ-pentafluorobenzoato-κ2O:O′)(pentafluorobenzoato-κO)(μ-pyrazine-κ2N:N′)copper(II)]: a coordination polymer linked into a three-dimensional network by intermolecular C—H...F—C interactions

2014 ◽  
Vol 70 (11) ◽  
pp. 1017-1020 ◽  
Author(s):  
Li-Juan Han ◽  
Ya-Jie Kong
Keyword(s):  
Coordination Polymer ◽  
Title Compound ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network

In the title compound, [Cu(C6F5COO)2(C4H4N2)]n, (I), the asymmetric unit contains one CuIIcation, two anionic pentafluorobenzoate ligands and one pyrazine ligand. Each CuIIcentre is five-coordinated by three O atoms from three independent pentafluorobenzoate anions, as well as by two N atoms from two pyrazine ligands, giving rise to an approximately square-pyramidal coordination geometry. Adjacent CuIIcations are bridged by a pyrazine ligand and two pentafluorobenzoate anions to give a two-dimensional layer. The layers are stacked to generate a three-dimensional supramolecular architectureviastrong intermolecular C—H...F—C interactions, as indicated by the F...H distance of 2.38 Å.

scholarly journals Crystal structure ofmer-tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III) dichloromethane hemisolvaten-hexane hemisolvate

2017 ◽  
Vol 73 (12) ◽  
pp. 1952-1955 ◽  
Author(s):  
Youngjin Kang ◽  
Ki-Min Park ◽  
Jinho Kim
Keyword(s):  
Title Compound ◽  
Average Distance ◽  
Solvent Molecule ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Ir(C17H11F2N2)3]·0.5CH3(CH2)4CH3·0.5CH2Cl2, comprises one IrIIIatom, three 2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl]pyridin-4-yl ligands and half each of ann-hexane and a dichloromethane solvent molecule located about crystallographic inversion centres. The IrIIIatom displays a distorted octahedral coordination geometry, having threeC,N-chelating 2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The IrIIIion lies almost in the equatorial plane [deviation = 0.0069 (15) Å]. The average distance [2.041 (3) Å] of Ir—C bonds is slightly shorter than that [2.076 (3) Å] of Ir—N bonds. A variety of intra- and intermolecular C—H...F and C—H...π hydrogen bonds, as well as intermolecular C—F...π interactions, contribute to the stabilization of the molecular and crystal structures, and result in the formation of a two-dimensional network parallel to theabplane. No interactions betweenn-hexane solvent molecules and the other components in the title compound are observed.

scholarly journals Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)zinc trihydrate

2015 ◽  
Vol 71 (9) ◽  
pp. m162-m163
Author(s):  
Siddhartha S. Baisya ◽  
Baidyanath Ghosh ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carboxylate Ligand ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Zn(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the ZnIIatom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H...O, O—H...N and O—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å.

scholarly journals Synthesis, crystal structure and Hirshfeld analysis of a new crystalline modification of the radical ion salt octamethylenetetrathiafulvalenium triiodide (OMTTF)I3

2018 ◽  
Vol 74 (11) ◽  
pp. 1547-1552
Author(s):  
Adriano Bof de Oliveira ◽  
Johannes Beck ◽  
Jörg Daniels
Keyword(s):  
Positive Charge ◽  
Three Dimensional ◽  
Radical Cations ◽  
Inversion Symmetry ◽  
Formula Unit ◽  
Crystalline Modification ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Hirshfeld Analysis ◽  
Centrosymmetric Dimers

The reaction between 4,5,6,7-tetrahydro-2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole (common name: 4,4′,5,5′,6,6′,7,7′-octahydrodibenzotetrathiafulvalene, OMTTF) and an excess of iodine in tetrahydrofuran (THF) yielded the respective radical organic polyiodide salt, C14H16S4 +·I3 −. The asymmetric unit contains one and a half formula unit of both the cation and the anion, with the half-ions completed through inversion symmetry. The (OMTTF^\bullet+) positive charge can be assigned by the bond distances and the planar structure of the C2S2C=CS2C2 central fragment. In the crystal, trimers of triiodide anions are connected through secondary intermolecular I...I interactions into almost linear I9 3− polyanions. The non-centrosymmetric OMTTF radical cations are linked by S...S interactions into centrosymmetric dimers, while the centrosymmetric OMTTF cations remain as discrete units. The (OMTTF^\bullet+) radical cations and the triiodide anions are linked by weak C—H...I and C—H...S interactions into a three-dimensional network. This work reports the fourth crystalline modification of the C14H16S4^\bullet+·I3 − salt. The three previous modifications were obtained from a mixture of acetonitrile and toluene [Konarev et al. (2005). Synth. Met. 151, 231–238].

scholarly journals 5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o258-o258
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H17FOS, contains two independent molecules (AandB). The dihedral angles between the benzofuran ring systems [r.m.s. deviations of 0.026 (1), 0.004 (1) and 0.003 (1) Å, respectively, for moleculeA, and 0.002 (1), 0.004 (1) and 0.005 (1) Å forB] and the pendant 4-fluorophenyl and 4-methylphenyl rings are 39.48 (4) and 30.86 (5)°, respectively, for moleculeA, and 33.34 (6) and 20.99 (8)° forB. In the crystal, molecules are linked by weak C—H...F and C—H...π interactions, resulting in a three-dimensional network.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

(2,9-Dimethyl-1,10-phenanthroline-κ2 N,N′)bis(3-hydroxybenzoato-κ2 O,O′)manganese(II) 2,9-dimethyl-1,10-phenanthroline dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2813-m2814 ◽  
Author(s):  
Xiao-peng Xuan ◽  
Pei-zheng Zhao ◽  
Shu-xia Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title compound, [Mn(C7H5O3)2(C14H12N2)]·C14H12N2·2H2O, the MnII ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two bidentate 3-hydroxybenzoate anions in a distorted octahedral environment. The structure is stabilized by O—H...O and O—H...N hydrogen bonds involving water molecules, the 3-hydroxybenzoate ligands and the uncoordinated dmphen molecules to form a three-dimensional network.

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