Tetra-μ2-cyano-κ8 C:N-μ2-2,6-dimethylpyrazine-κ2 N:N′-hexakis(2,6-dimethylpyrazine-κN)octa-μ2-thiocyanato-κ16 N:S-decacopper(I,II)

2006 ◽  
Vol 62 (4) ◽  
pp. m721-m723 ◽  
Author(s):  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
Special Position ◽  
Coordination Network ◽  
Other Hand ◽  
Square Planar

The asymmetric unit of the title compound [Cu8 ICu2 II(CN)4(NCS)8(C6H8N2)7], consists of six crystallographically independent Cu atoms, four thiocyanate anions and two cyanide anions, as well as four 2,6-dimethylpyrazine ligands. Two of the six Cu atoms and one of the four 2,6-dimethylpyrazine ligands are located on centres of inversion. The ligand on a special position is therefore disordered due to symmetry. Altogether there are two copper(II) and eight copper(I) cations in the formula unit. The copper(II) cations are each coordinated by four N atoms within a slightly distorted square-planar coordination. The copper(I) cations, on the other hand, are coordinated by four ligands or anions within distorted tetrahedra. From this arrangement, a three-dimensional coordination network is formed.

scholarly journals 2,2′-Bis{8-[(benzylamino)methylidene]-1,6-dihydroxy-5-isopropyl-3-methylnaphthalen-7(8H)-one}

2013 ◽  
Vol 69 (11) ◽  
pp. o1626-o1627
Author(s):  
Shukhrat M. Hakberdiev ◽  
Samat A. Talipov ◽  
Davranbek N. Dalimov ◽  
Bakhtiyar T. Ibragimov
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C44H44N2O6, contains two independent molecules with similar conformations. The dihydronaphthalene ring systems are approximately planar [maximum deviations = 0.036 (2), 0.128 (2), 0.0.24 (2) and 0.075 (2) Å]. The dihedral angle between two dihydronaphthalene ring systems is 83.37 (4)° in one molecule and 88.99 (4)° in the other. The carbonyl O atom is linked with the adjacent hydroxy and imino groupsviaintramolecular O—H...O and N—H...O hydrogen bonds. In the crystal, molecules are linked through O—H...O hydrogen bonds into layers parallel to (001), and adjacent layers are further stacked by π–π interactions between dihydronaphthalene and phenyl rings into a three-dimensional supramolecular architecture. In the crystal, one of the isopropyl groups is disordered over two positions with an occupancy ratio of 0.684 (8):0.316 (8).

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 strontium dinickel iron orthophosphate

2015 ◽  
Vol 71 (10) ◽  
pp. 1255-1258 ◽  
Author(s):  
Said Ouaatta ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Space Group ◽  
Edge Sharing Octahedra ◽  
Wyckoff Position

The title compound, SrNi2Fe(PO4)3, synthesized by solid-state reaction, crystallizes in an ordered variant of the α-CrPO4structure. In the asymmetric unit, two O atoms are in general positions, whereas all others atoms are in special positions of the space groupImma: the Sr cation and one P atom occupy the Wyckoff position 4e(mm2), Fe is on 4b(2/m), Ni and the other P atom are on 8g(2), one O atom is on 8h(m) and the other on 8i(m). The three-dimensional framework of the crystal structure is built up by [PO4] tetrahedra, [FeO6] octahedra and [Ni2O10] dimers of edge-sharing octahedra, linked through common corners or edges. This structure comprises two types of layers stacked alternately along the [100] direction. The first layer is formed by edge-sharing octahedra ([Ni2O10] dimer) linked to [PO4] tetrahedraviacommon edges while the second layer is built up from a strontium row followed by infinite chains of alternating [PO4] tetrahedra and FeO6octahedra sharing apices. The layers are held together through vertices of [PO4] tetrahedra and [FeO6] octahedra, leading to the appearance of two types of tunnels parallel to thea- andb-axis directions in which the Sr cations are located. Each Sr cation is surrounded by eight O atoms.

scholarly journals Bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide methanol hemisolvate

2014 ◽  
Vol 70 (2) ◽  
pp. o127-o128
Author(s):  
Maksym Seredyuk ◽  
Natalia O. Sharkina ◽  
Elzbieta Gumienna-Kontecka ◽  
Anatoly A. Kapshuk
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Dihedral Angles ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Solvent Molecules

The asymmetric unit of the title compound, C18H16N6Se·0.5CH3OH, contains two independent molecules of bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide with similar C—Se—C bond angles [99.30 (14) and 98.26 (13)°], and a methanol molecule of solvation. In one molecule, the dihedral angles between pyrazole and neighbouring pyridine rings are 18.3 (2) and 15.8 (2)°, and the corresponding angles in the other molecule are 13.5 (2) and 8.3 (2)°. In the crystal, the selenide and solvent molecules are linked by classical O—H...N and N—H...N hydrogen bonds, as well as by weak C—H...O and C—H...π interactions, forming a three-dimensional supramolecular architecture.

A new three-dimensional silver(I) coordination framework with a diamondoid topology constructed from 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid

2013 ◽  
Vol 69 (5) ◽  
pp. 467-470 ◽  
Author(s):  
Zhi-He Deng ◽  
Zhen-Jian Peng ◽  
Jun Huang
Keyword(s):  
Thermal Stability ◽  
Dicarboxylic Acid ◽  
Silver Nitrate ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Hydrothermal Conditions ◽  
Bridging Ligand ◽  
Coordination Framework

The title compound, poly[[μ4-5-carboxy-4-carboxylato-2-(pyridin-4-yl)-1H-imidazol-1-ido]disilver(I)], [Ag2(C10H5N3O4)]n, was synthesized by reacting silver nitrate with 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid (H3PyIDC) under hydrothermal conditions. The asymmetric unit contains two crystallographically independent AgIcations and one unique HPyIDC2−anion. Both AgIcations are three-coordinated in distorted T-shaped coordination geometries. One AgIcation is coordinated by one N and two O atoms from two HPyIDC2−anions, while the other is bonded to one O and two N atoms from two HPyIDC2−anions. It is interesting to note that the HPyIDC2−group acts as a μ4-bridging ligand to link the AgIcations into a three-dimensional framework, which can be simplified as a diamondoid topology. The thermal stability and photoluminescent properties of the title compound have also been studied.

scholarly journals Bis[hexaamminecobalt(III)] pentachloride nitrate

2012 ◽  
Vol 68 (6) ◽  
pp. i45-i46
Author(s):  
Qihui Wu ◽  
Chunyu Du ◽  
Yang Lv ◽  
Guoliang Chen ◽  
Qinhe Pan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Mirror Plane ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Hydrothermal Conditions ◽  
Nitrate N ◽  
Dimensional Network

The title compound, [Co(NH3)6]2Cl5(NO3), was obtained under hydrothermal conditions. The asymmetric unit contains three Co3+ ions, one lying on an inversion center and the other two located at 2/m positions. All Co3+ ions are six-coordinated by NH3 molecules, forming [Co(NH3)6]3+ octahedra, with Co—N distances in the range 1.945 (4)–1.967 (3) Å. The nitrate N atom and one of the O atoms lie at a mirror plane. Among the Cl− anions, one lies in a general position, one on a twofold axis and two on a mirror plane. N—H...O and N—H...Cl hydrogen bonds link the cations and anions into a three-dimensional network.

scholarly journals N,N′-Diethyl-N,N′-diphenylpyridine-2,6-dicarboxamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1099-o1100 ◽  
Author(s):  
Blanka Klepetářová ◽  
Emanuel Makrlík ◽  
Vasily A. Babain ◽  
Václav Kašička
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Ethyl Group ◽  
Compound C

The asymmetric unit of the title compound, C23H23N3O2, contains two molecules in both of which, one amide N atom is in asynposition with respect to the pyridine N atom, while the other amide N atom is in anantiposition (thesyn--anticonformation). There are minor conformational differences between the two molecules, as reflected in the Npyridine—C—C—Namidetorsion angles of −44.9 (3) and 136.0 (2)° for one molecule and 43.5 (3) and −131.1 (2)° for the other molecule. However, the two molecules show significant differences in the orientation of an ethyl group, with corresponding C—C—N—C torsion angles of 86.6 (3)° for one molecule and 79.6 (3)° for the other molecule. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular network.

Poly[(nitrato-κO)tris(μ3-1H-1,2,4-triazolato)dizinc(II)]: a three-dimensional coordination polymer

2007 ◽  
Vol 63 (11) ◽  
pp. m2744-m2744
Author(s):  
Joseph M. Ellsworth ◽  
Mark D. Smith ◽  
Hans-Conrad zur Loye
Keyword(s):  
Coordination Polymer ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Mirror Plane ◽  
Site Symmetry ◽  
Nitrate Anion ◽  
Asymmetric Unit

In the title compound, [Zn2(C2H2N3)3(NO3)], there are two unique Zn atoms, both with site symmetry m. One forms a ZnN3O tetrahedron and the other a ZnN6 octahedron. One and a half 1H-1,2,4-triazolate ligands, with the half-ligand located on a mirror plane, and a disordered nitrate anion complete the asymmetric unit of the structure. The polymeric connectivity is three-dimensional.

Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I4unit

2013 ◽  
Vol 69 (5) ◽  
pp. 494-497 ◽  
Author(s):  
Shao-Hua Luo
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Methanol Molecule ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Carboxylate Groups

The asymmetric unit of the title compound, [Pb2(C8H3IO4)2(CH4O)]n, contains two PbIIatoms, two 5-iodoisophthalate (5-IIP2−) ligands and one coordinated methanol molecule. One Pb atom is eight-coordinated, surrounded by seven carboxylate O atoms from five 5-IIP2−ligands and one O atom from the terminal methanol ligand. The other Pb atom is seven-coordinated in a hemidirected geometry, surrounded by seven carboxylate O atoms from five 5-IIP2−ligands. Both Pb atoms are connected by carboxylate groups to form a one-dimensional infinite rod along theaaxis; neighbouring rods are further linked by the aromatic rings of 5-IIP2−to generate the final three-dimensional structure with channels in theadirection. An O—H...O hydrogen bond between the methanol ligand and one of the carboxylate groups of a 5-IIP2−ligand stablizes the three-dimensional framework. Interestingly, a centrosymmetric rhombus-shaped I4unit is formed by four 5-IIP2−ligands, with I...I distances of 3.8841 (8) and 3.9204 (8) Å.

scholarly journals trans-Dibromidobis(3-methylpyridine-κN)copper(II)

2013 ◽  
Vol 69 (2) ◽  
pp. m116-m116 ◽  
Author(s):  
Firas F. Awwadi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Square Planar

The asymmetric unit of the title compound, [CuBr2(C6H7N)2], contains one half-molecule, the whole molecule being generated by inversion through a center located at the CuIIatom. The geometry around the CuIIatom is square planar. Semicoordinate Cu...Br bonds [3.269 (1) Å] and nonclassical C—H...Br hydrogen bonds connect the molecules, forming chains running parallel to theaaxis. These chains are further linkedviaadditional C—H...Br hydrogen bonds into a three-dimensional network.

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