A new polymorph of poly[tetraaquadi-μ3-malonato-dicadmium(II)]

2006 ◽  
Vol 62 (5) ◽  
pp. m959-m961
Author(s):  
Xu-Cheng Fu ◽  
Ming-Tian Li ◽  
Xiao-Yan Wang ◽  
Cheng-Gang Wang ◽  
Xiao-Tao Deng
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
The Other ◽  
Dalton Trans ◽  
Polymeric Structure

The crystal structure of the title compound, [Cd2(C3H2O4)2(H2O)4] n , was previously reported by Chung, Hong, Do & Moon [J. Chem. Soc. Chem. Commun. (1995), pp. 2333–2335; J. Chem. Soc. Dalton Trans. (1996), pp. 3363–3369]. We present here a new monoclinic polymorph which has a polymeric structure in which one Cd atom lies on an inversion centre and the other on a crystallographic twofold rotation axis.

scholarly journals Crystal structure of poly[[(2,2′-bipyridine)manganese(II)]-di-μ-thiocyanato]

2014 ◽  
Vol 70 (12) ◽  
pp. m401-m402
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
General Position ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Manganese Cation ◽  
Bipyridine Ligand

In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)]n, the MnIIcations are coordinated by one chelating 2,2′-bipyridine ligand and four thiocyanate anions (twoN- and twoS-coordinating), forming a distorted [MnN4S2] octahedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2′-bipyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thiocyanate anion in a general position. The MnIIcations are linked by two pairs of μ1,3-bridging thiocyanate ligands into chains along thecaxis; because the N atoms of the 2,2′-bipyridine ligands, as well as the N and the S atoms of the thiocyanate anions, are eachcis-coordinating, these chains show a zigzag arrangement.

scholarly journals 7,7′,8,8′-Tetramethoxy-4,4′-dimethyl-3,3′-bicoumarin

2009 ◽  
Vol 65 (6) ◽  
pp. o1294-o1295
Author(s):  
Hoong-Kun Fun ◽  
Samuel Robinson Jebas ◽  
Mehtab Parveen ◽  
Zakia Khanam ◽  
Raza Murad Ghalib
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Related Part ◽  
Methoxy Groups

In the crystal structure, the title compound, C24H22O8, lies on a twofold rotation axis and the asymmetric unit comprises one half-molecule. The dihedral angle formed by the coumarin unit with the symmetry-related part is 74.78 (14)°. One of the methoxy groups attached to the coumarin unit is considerably twisted, making an angle of 87.17 (17)° with respect to the coumarin unit; the other is twisted by 0.66 (19)°. No classical hydrogen bonds are found in the sturcture; only a weak C—H...π interaction and short intramolecular O...O contacts [2.683 (2)–2.701 (2) Å] are observed.

scholarly journals Crystal structure of 4,5-dibromophenanthrene

2017 ◽  
Vol 73 (4) ◽  
pp. 539-542
Author(s):  
Nicholas S. Kim ◽  
Dasan M. Thamattoor
Keyword(s):  
Crystal Structure ◽  
Opposite Direction ◽  
Torsion Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
The Mean

The synthesis and crystal structure of the title compound, C14H8Br2, is described. The molecule is positioned on a twofold rotation axis and the asymmetric unit consists of half a molecule with the other half being generated by symmetry. The presence of two large bromine atoms in the bay region significantly distorts the molecule from planarity and the mean planes of the two terminal rings of the phenanthrene system are twisted away from each other by 28.51 (14)°. The torsion angle between the two C—Br bonds is 74.70 (14)° and the distance between the two Br atoms is 3.2777 (13) Å. The molecules pack in layers in the crystal, with the centroids of the central rings of the phenanthrene units in adjacent layers separated by a distance of 4.0287 (10) Å. These centroids are shifted by 2.266 (6) Å relative to each other, indicating slippage in the stacking arrangement. Furthermore, the distance between the centroids of the terminal and central rings of the phenanthrene units in adjacent layers is slightly shorter at 3.7533 (19) Å. While all of the molecules within each layer are oriented in the same direction, those in adjacent layers are oriented in the opposite direction, leading to anti-parallel stacks.

scholarly journals β-Li0.37Na0.63Fe(MoO4)2

2014 ◽  
Vol 70 (2) ◽  
pp. i9-i10 ◽  
Author(s):  
Amira Souilem ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Title Compound ◽  
General Position ◽  
Site Occupancy ◽  
The Other ◽  
Main Structure ◽  
Axis Direction ◽  
A Site

The title compound, lithium/sodium iron(III) bis[orthomolybdate(VI)], was obtained by a solid-state reaction. The main structure units are an FeO6octahedron, a distorted MoO6octahedron and an MoO4tetrahedron sharing corners. The crystal structure is composed of infinite double MoFeO11chains along theb-axis direction linked by corner-sharing to MoO4tetrahedra so as to form Fe2Mo3O19ribbons. The cohesion between ribbonsviamixed Mo—O—Fe bridges leads to layers arranged parallel to thebcplane. Adjacent layers are linked by corners shared between MoO4tetrahedra of one layer and FeO6octahedra of the other layer. The Na+and Li+ions partially occupy the same general position, with a site-occupancy ratio of 0.631 (9):0.369 (1). A comparison is made withAFe(MoO4)2(A= Li, Na, K and Cs) structures.

scholarly journals Crystal structure of 1,3-diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide

2014 ◽  
Vol 70 (11) ◽  
pp. o1163-o1164 ◽  
Author(s):  
Sambasivarao Kotha ◽  
Rama Gunta
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Double Bonds ◽  
Envelope Conformation ◽  
Compound C ◽  
Membered Heterocycle

The title compound C15H20O2S, was identified as a product of diallylation of themeso-isomer of the corresponding norbornene sulfone, and it is an achiral compound. The five-membered heterocycle adopts an envelope conformation with the S atom deviating by 0.795 (3) Å from the other atoms of the ring (r.m.s. deviation = 0.0131). Both allyl groups areanti-oriented relative to the S atom but their double bonds are directed in opposite directions relative to the plane of the heterocycle.

scholarly journals Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate

2015 ◽  
Vol 71 (12) ◽  
pp. m275-m276 ◽  
Author(s):  
Waqas Sethi ◽  
Heini V. Johannesen ◽  
Thorbjørn J. Morsing ◽  
Stergios Piligkos ◽  
Høgni Weihe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Nitrate Anions

The title compound, [Co2(L)2]3+·3NO3−[whereL= CH3C(CH2NHCH2CH2OH1/2)3], has been synthesized from the ligand 1,1,1-tris(2-hydroxyethylaminomethyl)ethane. The cobalt(III) dimer has an interesting and uncommon O—H...O hydrogen-bonding motif with the three bridging hydroxy H atoms each being equally disordered over two positions. In the dimeric trication, the octahedrally coordinated CoIIIatoms and the capping C atoms lie on a threefold rotation axis. The N atoms of two crystallographically independent nitrate anions also lie on threefold rotation axes. N—H...O hydrogen bonding between the complex cations and nitrate anions leads to the formation of a three-dimensional network structure. The compound is a racemic conglomerate of crystals containing either D or L molecules. The crystal used for this study is a D crystal.

Crystal Structure of Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

1979 ◽  
Vol 32 (2) ◽  
pp. 301 ◽  
Author(s):  
V Diakiw ◽  
TW Hambley ◽  
DL Kepert ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Title Compound ◽  
Lattice Site ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triangular Face ◽  
X Ray

The crystal structure of the title compound, Ca(C6H2N307)2,5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b l0.292(7), c 8.554(2) �, Z 4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2- (unidentate)4]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

(3-Acetylpyridine-κN)chlorobis(triphenylphosphine-κP)copper(I): a suitable candidate for absolute asymmetric synthesis?

2006 ◽  
Vol 62 (7) ◽  
pp. m1569-m1571
Author(s):  
Anders Lennartson ◽  
Kent Salo ◽  
Mikael Håkansson
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Nucleophilic Attack ◽  
Suitable Candidate ◽  
Π Interactions ◽  
Crystallization Conditions ◽  
Chiral Crystals ◽  
Triphenylphosphine Ligand

It was found that 3-acetylpyridine is capable of displacing triphenylphosphine from [CuCl(PPh3)3], forming the title compound, [CuCl(C7H7NO)(C18H15P)2]. The two triphenylphosphine ligands possess the same sense of chirality, and the molecules are therefore conformationally chiral. The compound was found to crystallize as a racemate (centrosymmetric space group) under the crystallization conditions employed. The molecular structure shows that the carbonyl C atom is blocked at one side by a triphenylphosphine ligand, while the other face is open for nucleophilic attack. Obtaining chiral crystals of the title compound is thus a future objective. In the crystal structure, C—H...O(=C)-bonded dimers are formed, which are further stabilized by π–π interactions. The dimers form infinite chains through weak C—H...π interactions.

Die Kristallstruktur des Lithium-Benzamidinats {Li3[C6H5 - C(NSiMe3)2]3 · NC - C6H5} / The Crystal Structure of the Lithium Phenylamidinate {Li3[C6H5 - C(NSiMe3)2]3 · NC - C6H5}

1994 ◽  
Vol 49 (10) ◽  
pp. 1444-1447 ◽  
Author(s):  
Helmut Goesmann ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystals ◽  
Title Compound ◽  
The Other ◽  
Space Group ◽  
Structure Solution

AbstractSingle crystals of the title compound have been prepared by the reaction of benzonitrile with LiN-(SiMe3)2 in hexane and subsequent evaporation of the solvent. Space group P21/n, Z = 4, structure solution with 7945 observed unique reflections. R = 0.052. Lattice dimensions at -70 °C: a = 1485.2(9); b = 2486.9(11); c = 1568.9(8) pm; β = 91.06(4)°. The compound forms a trimeric ion ensemble in which two of the lithium cations are coordinated by three nitrogen atoms of two phenylamidinate an ions, the other one by four nitrogen atoms of two chelating phenylaminidate anions and in addition by the nitrogen atom of a benzonitrile molecule.

Darstellung und Kristallstruktur von NaCu3Te2/ Preparation and Crystal Structure of NaCu3Te2

1987 ◽  
Vol 42 (2) ◽  
pp. 130-134 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Rhombohedral Structure ◽  
Stacking Sequence ◽  
Humid Atmosphere ◽  
Copper Chalcogenides ◽  
Octahedral Sites ◽  
Structural Relationships

Abstract The title compound was prepared by reacting a corresponding mixture of Na2Te2 , copper and tellurium at 700 °C. NaCu3Te2 forms crystals of metallic lustre which are rapidly decomposed in humid atmosphere. It crystallizes with a rhombohedral structure, space group R3m, with a = 4.276(3) Å, c = 23.78(1) Å, Z = 3. The crystal structure was determined from diffractometer data and refined to a conventional R of 0.050 for 135 independent reflections.The atomic arrangement of NaCu3Te2 is based on a c.c.p. array of tellurium atoms with stacking sequence c6 . Na and Cu occupy alternatingly the interstitial layers. Na is in an octahedral coordination (d̄Na-Te : 3.22 Å), the Cu atoms occupy the tetrahedral and the octahedral voids. They are, however, shifted from the centers of these sites, resulting in an 1 + 3 coordination (d̄Cu-Te : 2.70 Å) for Cu on the tetrahedral. and an essentially trigonal coordination (dCu-Te : 2.575 Å) for Cu on the octahedral sites.NaCu3Te2 shows no closer structural relationships to the other alkali-copper-chalcogenides known so far. However, its crystal structure may be interpreted as an ordered defect derivative structure of the CaCu4P2 -type [1].

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