scholarly journals Synthesis and crystal structure of Na4Ni7(AsO4)6

2016 ◽  
Vol 72 (5) ◽  
pp. 632-634 ◽  
Author(s):  
Rénald David
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Ceramic Synthesis ◽  
The One

The title compound, tetrasodium heptanickel hexaarsenate, was obtained by ceramic synthesis and crystallizes in the monoclinic space groupC2/m. The asymmetric unit contains seven Ni atoms of which two have site symmetry 2/mand three site symmetry 2, four As atoms of which two have site symmetrymand two site symmetry 2, three Na atoms of which two have site symmetry 2, and fifteen O atoms of which four have site symmetrym. The structure of Na4Ni7(AsO4)6is made of layers of Ni octahedra and As tetrahedra assembled in sheets parallel to thebcplane. These layers are interconnected by corner-sharing between NiO6octahedra and AsO4tetrahedra. This linkage creates tunnels running along thecaxis in which the Na atoms are located. This arrangement is similar to the one observed in Na4Ni7(PO4)6, but the layers of the two compounds are slightly different because of the disorder of one of the Ni sites in the structure of the title compound.

scholarly journals Synthesis and Crystal Structure ofN-Dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine

2015 ◽  
Vol 2015 ◽  
pp. 1-5
Author(s):  
Shuang Gao ◽  
Hai-Tao Qu ◽  
Fei Ye ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound,N-dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine, was synthesized and characterized. The crystal structure of the title compound (C11H10Cl3NO2,Mr=294.55) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space groupP21/c, witha=6.7619(14),b=24.866(5),c=9.737(3) Å,α=90.00,β=130.982(18),γ=90.00°,V=1235.9(5) Å3,Z=4,Dx=1.583 Mg/cm3,λ(Mo  Ka)=0.71073 Å,F(000)=600,μ=0.729 mm−1,R=0.0476, andwR=0.1274for 2217 reflections withI>2σ(I).

scholarly journals Synthesis and Crystal Structure of Bis(2-phenylpyridine-C,N’)-bis(acetonitrile)iridium(III)hexafluorophosphate Showing Three Anion/Cation Couples in the Asymmetric Unit

Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 617 ◽  
Author(s):  
Elisa Fresta ◽  
Marco Milanesio ◽  
Giorgio Volpi ◽  
Claudia Barolo ◽  
Eleonora Conterosito
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Driving Force ◽  
Hirshfeld Surface ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Distorted Octahedral ◽  
Torsional Angles

The title compound bis(2-phenylpyridine-C,N’)-bis(acetonitrile)iridium(III)hexafluorophosphate, a six-coordinate iridium(III) complex, crystallizes in the P-1 space group. Iridium is in a distorted octahedral (n = 6) coordination with the N,C’ atoms of two phenylpyridine and the N atoms of two acetonitrile ligands. The peculiarity of this structure is that three independent moieties of the title compound and three PF6− anions, to counterbalance the charge, are observed in the asymmetric unit and this is a rather uncommon fact among the Cambridge Crystallographic Database (CSD) entries. The three couples are almost identical conformers with very similar torsional angles. The packing, symmetry, and space group were accurately analyzed and described also by means of Hirshfeld surface analysis, which is able to underline subtle differences among the three anion/cation couples in the asymmetric unit. The driving force of the packing is the clustering of the aromatic rings and the maximization of acetonitrile:PF6− interactions. The asymmetry of the cluster is the cause of the unusual number of moieties in the asymmetric unit.

Synthese und Kristallstruktur von Bromotriphenylphosphoniumtribromid, [(C6H5)3PBr]Br3 / Synthesis and Crystal Structure of Bromotriphenylphosphonium Tribromide, [(C6H5)3PBr]Br3

1993 ◽  
Vol 48 (3) ◽  
pp. 258-262 ◽  
Author(s):  
H. Vogt ◽  
S. I. Trojanov ◽  
V. B. Rybakov
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Solid State ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Tetrahedral Geometry ◽  
Synthesis And Crystal Structure ◽  
Space Group

Bromotriphenylphosphonium tribromide, [(C6H5)3PBr]Br3, has been prepared by the reaction of triphenylphosphine with bromine in dichloromethane. Light-brown crystals are obtained by recrystallization from the same solvent.The crystal and molecular structure of the title compound has been determined. The crystals are monoclinic, space group P21/c, Z = 8; a = 1917.1(8), b = 1182.2(9), c = 1823.5(4) pm, β = 108.34(2)°. R = 0.056 (Rw = 0.063) for 1813 reflections with I ≥ 3σ(I). In the solid state the title compound exists as discrete monomeric (C6H5)3PBr+ and Br3⁻ ions with two crystallographically independent ions of each sort. The cations have a slightly irregular tetrahedral geometry around the P atom. The tribromide anions are nearly symmetrical and slightly bent.

scholarly journals Synthesis and Crystal Structure of 2-(Dichloromethyl)-2-(4-nitrophenyl)-1,3-dioxane

2013 ◽  
Vol 2013 ◽  
pp. 1-4
Author(s):  
Fei Ye ◽  
Chang-Ying Sun ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound, 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxane, was synthesized and characterized. The crystal structure of the title compound (C11H11Cl2NO4,Mr=292.11) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space groupP21/cwitha=11.013(2) Å,b=14.653(3) Å,c=7.8693(16) Å,α=90°,β=97.06(3)°,γ=90°,V=1260.3(4) Å3,Z=4,F(000)=600,Dc=1.540 mg/cm3, the finalR1=0.0508, andωR2=0.1072for observed reflections withI>2σI. A total of 12162 reflections were collected, of which 2867 were unique (Rint=0.06999).

scholarly journals Crystal structure of (C9H17N2)3[Bi2I9]

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Zoe James ◽  
Yunhe Cai ◽  
Paz Vaqueiro
Keyword(s):  
Crystal Structure ◽  
Band Gap ◽  
Single Crystals ◽  
Title Compound ◽  
Optical Band Gap ◽  
Solvothermal Method ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Space Group

Single crystals of tris(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium) tri-μ2-iodido-bis[triiodidobismuth(III)], (C9H17N2)3[Bi2I9], were prepared by a solvothermal method, heating a mixture of BiI3, KI, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and ethanol at 443 K for six days. The asymmetric unit of the title compound, which crystallizes in the monoclinic space group P21/c, contains one [Bi2I9]3− anion and three protonated DBUH+ moieties. The dinuclear [Bi2I9]3− anions, which are composed of face-sharing BiI6 3− octahedra, are packed in columns parallel to the [010] direction, and separated by protonated DBUH+ moieties. The optical band gap of (C9H7N2)3Bi2I9 is 2.1 eV.

scholarly journals Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1

2019 ◽  
Vol 75 (1) ◽  
pp. 8-11
Author(s):  
Tze Shyang Chia ◽  
Huey Chong Kwong ◽  
Qin Ai Wong ◽  
Ching Kheng Quah ◽  
Md. Azharul Arafath
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Lattice Energy ◽  
Polymorphic Form ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centroid Distance ◽  
Methoxybenzoic Acid

A new polymorphic form of the title compound, C8H8O3, is described in the centrosymmetric monoclinic space group P21/c with Z′ = 1 as compared to the first polymorph, which crystallizes with two conformers (Z′ = 2) in the asymmetric unit in the same space group. In the crystal of the second polymorph, inversion dimers linked by O—H...O hydrogen bonds occur and these are linked into zigzag chains, propagating along the b-axis direction by C—H...O links. The crystal structure also features a weak π–π interaction, with a centroid-to-centroid distance of 3.8018 (6) Å. The second polymorph of the title compound is less stable than the reported first polymorph, as indicated by its smaller calculated lattice energy.

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 1-(4-Methoxyphenylsulfonyl)-5-methyl-5-phenylimidazolidine-2,4-dione

2009 ◽  
Vol 65 (6) ◽  
pp. o1207-o1208 ◽  
Author(s):  
Abid Hussain ◽  
Shahid Hameed ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Group ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C17H16N2O5S, crystallized in the chiral monoclinic space groupP21, with two enantiomeric molecules (AandB) in the asymmetric unit. It is composed of a methylimidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxyphenylsulfonyl group. The benzene ring mean planes are inclined to one another by 22.20 (14)° in moleculeAand by 15.82 (13)° in moleculeB. In the crystal structure, theAandBmolecules are linked by N—H...O hydrogen bonds, forming centrosymmetric dimers. A number of C—H...O interactions are also present in the crystal structure, leading to the formation of a three-dimensinoal network.

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.

Structure of 3α,4α:5β,6β-Diepoxyandrostan-17-one

1983 ◽  
Vol 36 (11) ◽  
pp. 2333 ◽  
Author(s):  
B Kamenar ◽  
RA Pauptit ◽  
JM Waters
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

The X-ray crystal structure of 3α,4α:5β,6β-diepoxyandrostan-17-one has been determined. Crystals of the title compound (C19H26O3)are monoclinic, space group P21, with a 9.208(2), b 9.620(4), c 9.312(3) �, β 99.14(2)�, V 814.5 Ǻ3 and Z 2. The structure was solved by direct methods and refined to R 0.039 for 887 observed reflexions. The 3α,4α:5β,6β configuration of the epoxide rings confirms the assignment based on proton n.m.r. studies.

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