The Crystal Structure of the Triiodide of 3,3′ -Bis(dimethylamino)phenothiazine (Methylene Blue)

1977 ◽  
Vol 32 (12) ◽  
pp. 1375-1378 ◽  
Author(s):  
H. Endres ◽  
G. Jeromin ◽  
H. J. Keller
Keyword(s):  
Crystal Structure ◽  
Methylene Blue ◽  
Least Squares ◽  
Title Compound ◽  
Organic Cations ◽  
Monoclinic Space Group ◽  
Fourier Methods ◽  
Space Group ◽  
Compound C

The title compound, C16H18N3S · Is, crystallizes in the monoclinic space group P 21/a with a = 11.32(2) Å, b = 16.59(1) A, c = 11.52(2) Å, β = 109.56(8). The structure was solved by Patterson and Fourier methods and refined by least squares to R = 0.066, based on 1042 observed intensities. The planar organic cations form regular stacks along c with interplanar distances of 3.46 Å. The stacks are enclosed by slightly asymetric triiodide anions, which form ribbons perpendicular to the cation stacks.

Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-a:3′,2′-c:2′′,3′′-f:3′′′,2′′′-h]naphthalene

2013 ◽  
Vol 69 (6) ◽  
pp. 634-637 ◽  
Author(s):  
Libin Gao
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Photophysical Properties ◽  
Planar Geometry ◽  
Monoclinic Space Group ◽  
Slow Evaporation ◽  
Space Group ◽  
Compound C ◽  
Alkyl Side Chains ◽  
The Mean

The title compound, C58H64S8, has been prepared by Pd-catalysed direct C—H arylation of tetrathienonaphthalene (TTN) with 5-hexyl-2-iodothiophene and recrystallized by slow evaporation from dichloromethane. The crystal structure shows a completely planar geometry of the TTN core, crystallizing in the monoclinic space groupP21/c. The structure consists of slipped π-stacks and the interfacial distance between the mean planes of the TTN cores is 3.456 (5) Å, which is slightly larger than that of the comparable derivative of tetrathienoanthracene (TTA) with 2-hexylthiophene groups. The packing in the two structures is greatly influenced by both the aromatic core of the structure and the alkyl side chains.

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).

Crystal and Molecular Structure of Bis(N,N,N′,N′ -tetramethyl-1,4-diaminobenzeniumyl) [Wurster s Blue Cation]-tetracyanoplatinate(II)-mono-hydrate

1979 ◽  
Vol 34 (2) ◽  
pp. 140-144 ◽  
Author(s):  
H. Endres ◽  
W. Jentsch ◽  
H. J. Keller ◽  
R. Martin ◽  
W. Moroni ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Least Squares ◽  
Title Compound ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Organic Cations ◽  
Monoclinic Space Group ◽  
Crystal Water ◽  
Fourier Methods ◽  
Group A

Abstract The title compound crystallizes in the monoclinic space group A 2/m (C2h3) with a = 10.61(3) Å, b = 9.511(5) Å and c = 16.47(5) Å, β = 124.2(1)° and two formula units in the unit cell. The structure was solved by Patterson and Fourier methods and refined by least squares to R = 0.071 based on 1251 observed intensities. The organic cations are slightly distorted and are arranged in dimers along the crystallographic a-axis. There are “mixed stacks” of the planar [Pt(CN)4]2− units which are separated from each other by the WB22+ dimers along b. There is IR-evidence for the formation of hydrogen bridges between [Pt(CN)4]2− units and the crystal water during the modification change of the compound at room temperature.

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 4-(pyrazin-2-yl)morpholine

2018 ◽  
Vol 74 (2) ◽  
pp. 137-140 ◽  
Author(s):  
Siva Sankar Murthy Bandaru ◽  
Anant Ramakant Kapdi ◽  
Carola Schulzke
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Chair Conformation ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The molecular structure of the title compound, C8H11N3O, is nearly planar despite the chair conformation of the morpholine moiety. In the crystal, the molecules form sheets parallel to the b axis, which are supported by non-classical hydrogen-bonding interactions between C—H functionalities and the O atom of morpholine and the 4-N atom of pyrazine, respectively. The title compound crystallizes in the monoclinic space group P21/c with four molecules in the unit cell.

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.

Crystal structure of the acetic acid solvate of the molybdenum(II) acetate/sodium acetate double salt

1980 ◽  
Vol 33 (8) ◽  
pp. 1847 ◽  
Author(s):  
DL Kepert ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Sodium Acetate ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, Mo2(O2CCH3)4,Na+ - O2CCH3,HO2CCH3, has been determined by single crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.040 for 1529 'observed' reflections. Crystals are monoclinic, space group I2/c, a 8.251(5), b 18.468(9), c 13.674(6) Ǻ, β 100.25(4)°, Z 4. The compound is shown to have the above stoichiometry, containing the usual binuclear molybdenum(II) acetate cluster together with pairs of hydrogen-bonded acetic acid/acetate units.

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.

Kristallstruktur von Bis(N.N′-bis(8-chinoyl)äthylendiaminato)nickel(II) / Crystal Structure of Bis(N,N′-bis(8-chinoyl)ethylenediaminato)nickel(II)

1977 ◽  
Vol 32 (2) ◽  
pp. 131-133 ◽  
Author(s):  
H. Endres ◽  
H. J. Keller ◽  
A. Poveda
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Least Squares ◽  
Title Compound ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Cell Dimensions ◽  
Planar Molecules ◽  
Unit Cell Dimensions

The title compound NiC20H16N4 crystallizes in the monoclinic space group Ρ21/a with unit cell dimensions a = 12.07(2) Å, b= 10.712(4) Å, c = 13.50(3) Å, β= 113.1(1)°. The structure was refined by a blockmatrix least squares procedure to R = 0.126, based on 1258 observed intensities. The planar molecules form centro-symmetric dimers in the solid state with interplane distances of 3.3 A.

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.

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