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.

scholarly journals Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol

2017 ◽  
Vol 73 (9) ◽  
pp. 1398-1401 ◽  
Author(s):  
Jim Simpson ◽  
Shaaban K. Mohamed ◽  
Adel A. Marzouk ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Unit Cell ◽  
Dihedral Angles ◽  
Comparable Data ◽  
Asymmetric Unit ◽  
Compound C ◽  
Triclinic Unit Cell

The title compound, C24H21N3O3, crystallizes with two unique but closely r.m.s. overlay fit = 0.215 Å) comparable molecules (1 and 2) in the asymmetric unit of the triclinic unit cell. In molecule 1, the dihedral angles between the central imidazlole ring and the benzene-ring substituents are 42.51 (9), 45.41 (9) and 56.92 (8)°, respectively. Comparable data for molecule 2 are 39.36 (10), 34.45 (11) and 60.34 (8)°, respectively. The rings at the 2-positions carryp-nitro substituents that subtend dihedral angles of 12.9 (4)° in molecule 1 and 11.7 (4)° in molecule 2 to their respective benzene ring planes. The imidazole rings also have propan-2-ol substituents on the 1-N atoms, which adopt extended conformations for the N—C—C—C chains. In the crystal, classical O—H...N hydrogen bonds combine with C—H...O, C—H...N and C—H...π(ring) hydrogen bonds and stack the molecules along thea-axis direction.

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.

Synthesis, properties and crystal structure of novel Copper(II) ammine complex with [Pd(CN)4]2− building blocks

2020 ◽  
Vol 235 (10) ◽  
pp. 459-463
Author(s):  
Veronika Grzimek ◽  
Juraj Kuchár
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Building Blocks ◽  
Unit Cell ◽  
Mirror Plane ◽  
Ammine Complex ◽  
Synthesis Properties ◽  
Cyclic Part

AbstractThe title compound [Cu4(NH3)12-(µ2-CN)8-Pd4(CN)8] was prepared from the aqueous solution Cu2+ – N,N,N′,N′-tetraethylethane-1,2-diamine – [Pd(CN)4]2−, where the addition of excess amounts of ammonia caused the dissolution of the precipitate formed during reaction. Using this method, we prepared and structurally characterized the new complex of Cu(II) containing ammine ligand with tetracyanidopalladate(II) anion incorporated within the molecule. The crystal structure of compound is molecular; the unit cell contains centrosymmetric octanuclear molecules in which all central atoms lies on mirror plane. Generally, the structure of the molecule can be divided into central cyclic part and terminal pendants. The structure contains nitrogen atoms derived from the ammonia molecules coordinated to Copper(II) atoms. They are involved in the formation of N-H···N hydrogen bonds type.

scholarly journals Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate

IUCrData ◽  
2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Arpita Saha ◽  
Clifford W. Padgett ◽  
Pierre LeMagueres ◽  
Kiana Moncur ◽  
Glory Onajobi
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Unit Cell ◽  
Manganese Complexes ◽  
Amine Group ◽  
Formula Unit ◽  
Ethanol Molecule ◽  
The Core ◽  
Solvent Molecules ◽  
Triclinic Unit Cell

Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn7(C8H9NO3)4(C8H10NO3)4(C2H5O)2(C7H5O2)2O2]·8C2H5OH. Herein, we report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C6H5COO)2 with pyridoxine (PNH2, C8H11NO3) followed by the addition of tetramethylammonium hydroxide (TMAOH). The core of this centrosymmetric complex is a cage-like structure consisting of six MnIII ions and one MnII ion bound together through Mn—O bonds. The compound crystallizes in hydrogen-bonded layers formed by O—H...N hydrogen bonds involving the aromatic amine group of the ligand PN2− with the neighboring O atoms from the PNH− ligand. The crystal structure has large voids present in which highly disordered solvent molecules (ethanol) sit. A solvent mask was calculated and 181 electrons were found in a volume of 843 Å3 in one void per triclinic unit cell. This is consistent with the presence of seven ethanol molecules per formula unit, which accounts for 182 electrons per unit cell. Additionally, one ethanol molecule was found to be ordered in the crystal.

scholarly journals Crystal structure of tetrakis(μ-n-butyrato-κ2O:O′)bis[chloridorhenium(III)](Re—Re)

2014 ◽  
Vol 70 (10) ◽  
pp. m349-m350 ◽  
Author(s):  
Michael P. Thomson ◽  
Natasha F. O'Rourke ◽  
Ruiyao Wang ◽  
Manuel A. S. Aquino
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Bond Angle ◽  
Octahedral Geometry ◽  
Unit Cell ◽  
Type Structure ◽  
Inversion Center ◽  
Bond Angles ◽  
Quadruple Bond

With an inversion center at the mid-point of the two ReIIIatoms, the title compound, [Re2Cl2{O2C(CH2)2CH3}4], exhibits a paddle-wheel or lantern-type structure with fourn-butyrate groups bridging two ReIIIatoms in asyn–synfashion. The axial chloride ligands together with the Re—Re quadruple bond [2.2330 (3) Å] complete an essentially octahedral geometry around each ReIIIatom. There is little distortion, with an Re—Re—Cl bond angle of 176.18 (3)° and typicalcis-O—Re—O bond angles ranging from 89.39 (11) to 90.68 (11)°. There are two molecules in the unit cell, and no significant intermolecular interactions were noticed between molecules in the crystal.

scholarly journals Crystal structure of bis[tetrakis(triphenylphosphane-κP)silver(I)] (nitrilotriacetato-κ4N,O,O′,O′′)(triphenylphosphane-κP)argentate(I) with an unknown amount of methanol as solvate

2016 ◽  
Vol 72 (3) ◽  
pp. 318-321 ◽  
Author(s):  
Julian Noll ◽  
Marcus Korb ◽  
Heinrich Lang
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Unit Cell ◽  
Formula Unit ◽  
Crystal Data ◽  
Asymmetric Unit ◽  
Complex Ions ◽  
Acta Cryst ◽  
Solvent Model

The structure of the title compound, [Ag(C18H15P)4]2[Ag(C6H6NO6)(C18H15P)], exhibits trigonal (P-3) symmetry, with aC3axis through all three complex ions, resulting in an asymmetric unit that contains one third of the atoms present in the formula unit. The formula unit thus contains two of the cations, one anion and disordered molecules of methanol as the packing solvent. Attempts to refine the solvent model were unsuccessful, indicating uninterpretable disorder. Thus, the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst. C71, 9–18] was applied, accounting for 670 electrons per unit cell, representing approximately 18 molecules of methanol in the formula unit. The stated crystal data forMr, μetcdo not take these into account.

scholarly journals Ethyl 6′-cyano-7′-(p-tolyl)-1′,6′,7′,7a′-tetrahydro-3′H-spiro[indeno[1,2-b]quinoxaline-11,5′-pyrrolo[1,2-c]thiazole]-6′-carboxylate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
C. Muthuselvi ◽  
M. Muthu ◽  
S. Athimoolam ◽  
B. Ravikumar ◽  
S. Pandiarajan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Unit Cell ◽  
Side Chain ◽  
Compound C

The title compound, C31H26N4O2S, crystallizes in a triclinic centrosymmetric lattice with two molecules in the unit cell. The five-membered thiazole and pyrrolidine rings adopt twisted and envelope conformations, respectively. The methoxyphenyl and indenoquinoxaline planes are oriented with a dihedral angle of 88.1 (1)° to each other. The crystal structure features C—H...N, C—H...O and C—H...S intermolecular interactions forming two R 2 2(16) ring motifs and a C(11) and two C 2 2(14) chain motifs. The –CH3 group of the ethyl side chain is disordered over two positions with site occupancies of 0.55 and 0.45.

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.

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