scholarly journals Crystal structure of the inverse crown ether tetrakis[μ2-bis(trimethylsilyl)amido]-μ4-oxido-dicobalt(II)disodium, [Co2Na2{μ2-N(SiMe3)2}4](μ4-O)

2016 ◽  
Vol 72 (6) ◽  
pp. 780-784 ◽  
Author(s):  
Christopher B. Hansen ◽  
Alexander S. Filatov ◽  
Gregory L. Hillhouse
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
Oxidation State ◽  
Crown Ethers ◽  
Title Compound ◽  
Infinite Chain ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
New Entry

The title compound, [Co2Na2{μ2-N(SiMe3)2}4](μ4-O), (I), represents a new entry in the class of inverse crown ethers. In the molecule, each Co atom is formally in the oxidation state +II. The structure contains one half of a unique molecule per asymmetric unit with the central μ4-oxido ligand residing on an inversion center, leading to a planar coordination to the Na and Co atoms. In the crystal, bulky trimethylsilyl substituents prevent additional interactions with cobalt. However, weak intermolecular Na...H3C—Si interactions form an infinite chain along [010]. The structure is isotypic with its Mg, Mn and Zn analogues.

A Novel Crown-Ether Stabilized Oxonium Halogenochalcogenate(IV): [H7O3(Bis-dibromo-dibenzo-30-crown-10)][Se2Br9]·1.5CH2Cl2

2004 ◽  
Vol 59 (11-12) ◽  
pp. 1438-1443 ◽  
Author(s):  
Adrienne Hammerschmidt ◽  
Illenora Beckmann ◽  
Mechtild Läge ◽  
Bernt Krebs
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
Crown Ethers ◽  
Title Compound ◽  
Hydrobromic Acid ◽  
Monoclinic Space Group ◽  
Controlled Synthesis ◽  
Space Group ◽  
Cyclic Polyethers ◽  
Solvent Molecules

The title compound [H7O3(bis-dibromo-dibenzo-30-crown-10)][Se2Br9] ·1.5CH2Cl2 (1) was isolated from a solution of SeBr4 and dibenzo-30-crown-10 in CH3CN/CH2Cl2 containing a small amount of hydrobromic acid. During the reaction the crown ether is brominated by HBr. The compound crystallizes in the monoclinic space group P21/n with a = 17.688(11), b = 14.921(6), c = 20.521(12) Å , β = 97.71(5)°, and Z = 4. 1 is a novel example in the series of supramolecular halogenochalcogeno acids prepared in our group in which different oxonium cations are stabilized and encapsulated by crown ethers. Especially in this class of superacids complexation by cyclic polyethers offers covenient and variable possibilities for the controlled synthesis of oxonium cations. In the present case the large dibenzo-30-crown-10 ring systems are able to stabilize trinuclear [H7O3]+ cations within their cavities. Besides the macromolecular cations and some dichloromethane solvent molecules, the crystal structure of 1 contains molecular [Se2Br9]− ions with approximate D3h symmetry, each consisting of two face-sharing SeBr6 octahedra.

scholarly journals Crystal structure oftrans-dihydridobis[tris(dimethylamino)phosphane-κP]platinum(II)

2015 ◽  
Vol 71 (4) ◽  
pp. m83-m84
Author(s):  
Emma L. Downs ◽  
Lev N. Zakharov ◽  
David R. Tyler
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Planar Structure ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Square Planar

The molecule of the title compound, [PtH2(C6H18N3P)2], has a centrosymmetric square-planar structure in which the PtIIatom is bonded to two H and two P atoms in a mutuallytransconfiguration. The PtIIatom sits on an inversion center and thus the asymmetric unit contains only half the molecule. The Pt—P and Pt—H distances are 2.2574 (10) and 1.49 (7) Å, respectively.

scholarly journals Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate

2014 ◽  
Vol 70 (10) ◽  
pp. o1138-o1138
Author(s):  
Sung Kwon Kang ◽  
Byung Hee Han
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Compound C ◽  
Vinyl Group

The asymmetric unit of the title compound, C28H26O6, contains one half-molecule, with the complete molecule generated by a crystallographic inversion center. The central terephthalate and methoxybenzene rings are approximately perpendicular, making a dihedral angle of 80.31 (5)°. No specific directional contacts are noted in the crystal packing. The terminal vinyl group is disordered over two orientations with an occupancy ratio of 0.796 (4):0.204 (4).

scholarly journals Bis(butan-1-aminium) naphthalene-1,5-disulfonate

2012 ◽  
Vol 68 (6) ◽  
pp. o1595-o1595
Author(s):  
Yu Jin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Inversion Center ◽  
Asymmetric Unit

In the title compound, 2C4H12N+·C10H6O6S2 2−, the anion lies on an inversion center, so the asymmetric unit contains half an anion and one cation which are linked by a strong N—H...O hydrogen bond. The crystal structure comprises discrete ions, which are linked into centrosymmetric R 4 4(12) loops by N—H...O interactions.

scholarly journals Crystal structure of a helical silver(I) coordination polymer based on an unsymmetrical dipyridyl ligand:catena-poly[[silver(I)-μ-N-(pyridin-4-ylmethyl)pyridine-3-amine-κ2N:N′] tetrafluoridoborate methanol hemisolvate]

2015 ◽  
Vol 71 (11) ◽  
pp. 1287-1289 ◽  
Author(s):  
Suk-Hee Moon ◽  
Youngjin Kang ◽  
Ki-Min Park
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Title Compound ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Centroid Distance ◽  
Linear Geometry

The asymmetric unit of the title compound, {[AgL]·BF4·0.5CH3OH}n,L=N-(pyridin-4-ylmethyl)pyridine-3-amine, C11H11N3, contains one AgIion, one ligandL, one tetrafluoridoborate anion disordered over two orientations in a 0.669 (13):0.331 (13) ratio and one half of a methanol solvent molecule situated on an inversion center. Each AgIion is coordinated by two N atoms from twoLligands in a distorted linear geometry [N—Ag—N = 174.70 (19)°]. EachLligand bridges two AgIions, thus forming polymeric helical chains propagating in [010]. In the crystal, Ag...Ag [3.3369 (10) Å] and π–π interactions between the aromatic rings [centroid-to-centroid distance = 3.676 (4) Å] link these chains into layers parallel to (10-1). Ag...F and weak N(C)—H...F interactions further consolidate the crystal packing.

scholarly journals μ-Hexathiometadiphosphato-bis[(1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O)rubidium] acetonitrile disolvate

2013 ◽  
Vol 69 (12) ◽  
pp. m689-m689
Author(s):  
Mimoza Gjikaj ◽  
Niels-Patrick Pook ◽  
Flora Qarri
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
Coordination Number ◽  
Title Compound ◽  
Solvent Molecule ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Common Edge ◽  
Solvent Molecules ◽  
Macrocyclic Cavity

The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one acetonitrile solvent molecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb+ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972 (1) Å from the O atoms of the crown in the direction of the [P2S6]2−moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6]2−anion. The hexathiometadiphosphate anion is built up from two tetrahedral PS4units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and acetonitrile solvent molecules stacked along [010].

2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions

CrystEngComm ◽  
2021 ◽  
Author(s):  
Nicoleta Caimac ◽  
Elena Melnic ◽  
Diana Chisca ◽  
Marina S. Fonari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Ionic Species ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Asymmetric Unit ◽  
Space Group

The title compound crystallises in the triclinic centrosymmetric space group P1̄ with an intriguing high number of crystallographically unique binary salt-like adducts (Z′ = 8) and a total number of ionic species (Z′′ = 16) in the asymmetric unit.

scholarly journals Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2

2006 ◽  
Vol 62 (7) ◽  
pp. o3046-o3048 ◽  
Author(s):  
Ashley T Hulme ◽  
Philippe Fernandes ◽  
Alastair Florence ◽  
Andrea Johnston ◽  
Kenneth Shankland
Keyword(s):  
Crystal Structure ◽  
Simulated Annealing ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Title Compound ◽  
Variable Temperature ◽  
Polycrystalline Sample ◽  
Asymmetric Unit ◽  
X Ray ◽  
Compound C

A polycrystalline sample of a new polymorph of the title compound, C8H11NO2, was produced during a variable-temperature X-ray powder diffraction study. The crystal structure was solved at 1.67 Å resolution by simulated annealing from laboratory powder data collected at 250 K. Subsequent Rietveld refinement yielded an R wp of 0.070 to 1.54 Å resolution. The structure contains two molecules in the asymmetric unit, which form a C 2 2(8) chain motif via N—H...O hydrogen bonds.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

Sign in / Sign up

Export Citation Format

Share Document