scholarly journals Crystal structure of (η2,η2-cycloocta-1,5-diene)(η5-indenyl)cobalt(I)

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Phillip Jungk ◽  
Anke Spannenberg ◽  
Marko Hapke
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Dispersion Forces ◽  
Asymmetric Unit ◽  
Double Bonds

The title compound, [Co(C8H12)(C9H7)], was synthesized by the reaction of metallated 2-H-indene with CoCl(PPh3)3and 1,5-cyclooctadiene in tetrahydrofuran/toluene. In the molecule, the CoIatom is coordinated by the two double bonds of the 1,5-cyclooctadiene ligand and η5-bonded to the indenyl ligand. The asymmetric unit contains two molecules of the CoIcomplex with very similar conformations. In the crystal, molecules are arranged into rows parallel to [100]. Apart from dispersion forces, there are no notable intermolecular interactions in the crystal.

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 Crystal structure of bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)manganese(II) 2,2′-bipyridine monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. m3-m4
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral

In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the MnIIcation is coordinated in an all-cisconfiguration by two N-bound thiocyanate anions and two 2,2′-bipyridine ligands within a slightly distorted octahedral environment. The asymmetric unit consists of one MnIIcation, two thiocyanate anions and two 2,2′-bipyridine ligands, as well as two non-coordinating 2,2′-bipyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex molecules are arranged in such a way that cavities are formed, in which the solvent 2,2′-bipyridine molecules are located. Apart from van der Waals forces, there are no remarkable intermolecular interactions present in the crystal structure.

scholarly journals Crystal structure of a new 2,6-bis(imino)pyridine derivative: (1E,1′E)-1,1′-(pyridine-2,6-diyl)bis[N-(4-chlorophenyl)ethan-1-imine]

2019 ◽  
Vol 75 (2) ◽  
pp. 115-118 ◽  
Author(s):  
Rajagopal Rajesh ◽  
E. S. Sella ◽  
Olivier Blacque ◽  
Kunjanpillai Rajesh
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Pyridine Ring ◽  
Pyridine Derivative ◽  
Asymmetric Unit ◽  
Double Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C21H17Cl2N3, contains two crystallographically independent molecules (AandB). Both molecules haveEconfigurations for both imine double bonds with regard to the aryl and pyridine groups. The conformations of the two molecules differ with the 4-chlorophenyl rings being inclined to the central pyridine ring by 77.64 (6) and 86.18 (6)° in moleculeA, and 80.02 (5) and 43.41 (6)° in moleculeB. In the crystal, molecules are linked by a number of C—H...π interactions, forming layers parallel to thebcplane.

A new ring-like arrangement of vanadyl(IV) groups bridged by monodentate alkoxides:cyclo-decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]

2012 ◽  
Vol 68 (12) ◽  
pp. m353-m355
Author(s):  
Danilo Stinghen ◽  
Janaina G. Ferreira ◽  
Giovana G. Nunes ◽  
Jaísa F. Soares
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Nmr Studies ◽  
Ring Topology ◽  
Triclinic Unit Cell

The pentanuclear title compound, [V5(C7H13O)10O5], has a metal–oxygen core that consists of five vanadyl(IV) centres bridged by the O atoms of cyclohexylmethanolate ligands. This particular ring topology is new to oxovanadium(IV) chemistry and resembles the structure proposed for [V5O15]5−on the basis of51V NMR studies in aqueous solution. The bulky cyclohexylmethanolate ligands adopt chair-like conformations and project outwards from the central cyclic core. The title compound crystallizes in a centrosymmetric triclinic unit cell, which contains four independent but chemically identical molecules in the asymmetric unit. The crystal structure is devoid of any significant intermolecular interactions.

scholarly journals [2,2′-Bis(diphenylphosphanyl)-1,1′-binaphthyl-κ2 P,P′]dichloridoplatinum(II) acetonitrile trisolvate

IUCrData ◽  
2020 ◽  
Vol 5 (8) ◽  
Author(s):  
Jason D. Braun ◽  
Guneet Uppal ◽  
David E. Herbert
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Single Molecule ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Π Stacking ◽  
Solvent Molecules

The crystal structure (150 K) of the racemic title compound, [PtCl2(C44H32P2)]·3CH3CN, has been determined. The asymmetric unit comprises a single molecule of the title compound co-crystallized with three acetonitrile solvent molecules. Four molecules are observed in the unit cell, with R and S enantiomers present in a 2:2 ratio. Evidence of intramolecular π-stacking is observed with no discernable intermolecular interactions.

(2R,3S)-Diethyl 2,3-dibenzoylsuccinate

2006 ◽  
Vol 62 (5) ◽  
pp. o1966-o1967
Author(s):  
Sheng-Li Hu ◽  
Xian-Mei Liu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C

In the crystal structure of the title compound, C22H22O6, the asymmetric unit consists of one half-molecule with the other half generated by a centre of inversion. The crystal packing is stabilized by C—H...O intermolecular interactions.

scholarly journals Crystal structure of a second polymorph of tetrakis(pyridin-2-yl)methane

2014 ◽  
Vol 70 (12) ◽  
pp. o1277-o1278 ◽  
Author(s):  
Kouzou Matsumoto ◽  
Masaki Kannami ◽  
Akira Fuyuhiro ◽  
Masaji Oda
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
High Symmetry ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C

A second polymorph of the title compound, C21H16N4, is reported. The original polymorph was solved by our group [Matsumotoet al.(2003).Tetrahedron Lett.44, 2861–2864] in the monoclinic space groupC2/cand refined toR= 0.050. Now the crystal structure of a tetragonal polymorph (space groupP-421c) has been solved and refined toR= 0.036. In the crystal, there are no strong intermolecular interactions. Reflecting the high symmetry of the molecular structure, the asymmetric unit is a quarter of the molecule, and the molecule exhibitsS4 symmetry along thecaxis in the crystal.

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.

Systhesis, Characterization and Spectroscopic Properties of (2E,6E)-2,6-Bis(2,3,4-tri-methoxy-benzylidene)cyclohexanone

2011 ◽  
Vol 396-398 ◽  
pp. 2338-2341
Author(s):  
Xing Chuan Wei ◽  
Zhi Li Liu ◽  
Kun Zhang ◽  
Zhi Yun Du ◽  
Xi Zheng
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Spectroscopic Properties ◽  
Spectral Studies ◽  
Double Bonds ◽  
X Ray ◽  
Π Interactions ◽  
X Ray Crystallography

In this paper, (2E,6E)-2,6-Bis(2,3,4-tri-methoxy -benzylidene)cyclohexanone (omitted as tmbcho) (1) was obtained by the reaction of acetic acid, tetrahydrofuran, cyclohexanone and 2,3,4-tri-methoxy-benzaldehyde. Three non-classic hydrogen bonds were observed in the compound. X-ray crystallography shows that the crystal structure is stabilized by intermolecular C-H•••π interactions and it contains plenty of conjugated double bonds. The title compound was characterized by UV-vis and fluorescent spectral studies.

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