Crystal Structure and Fluorescence Characterization of Large π-Conjugated Biphenyl Derivative

2013 ◽  
Vol 850-851 ◽  
pp. 49-52
Author(s):  
Yu Feng Li
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Diffraction Method ◽  
Fluorescence Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Biphenyl Derivative

biphenyl Derivative was synthesized by Wittig-Homer reaction. Its crystal structure was determined by X-ray diffraction method. The fluorescence properties of the title compound in solvents were investigated.

Crystal Structure and Fluorescence of 4,4'-(o-Benzonitrile) Divinylbenzene

2013 ◽  
Vol 850-851 ◽  
pp. 45-48
Author(s):  
Yu Feng Li
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Diffraction Method ◽  
Fluorescence Properties ◽  
X Ray Diffraction ◽  
X Ray

4,4'-(o-benzonitrile) divinylbenzene compound was synthesized by Wittig-Homer reaction. Its crystal structure was determined by X-ray diffraction method. The fluorescence properties of the title compound in acetone solvents were investigated.

scholarly journals A new pathway of preparation and refined structure of (NH4)2[FeCl5(H2O)]

2013 ◽  
Vol 6 (1) ◽  
pp. 129-132 ◽  
Author(s):  
Darina Lacková ◽  
Iveta Ondrejkovičová ◽  
Marián Koman
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Structural Parameters ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Hydrolysis Of ◽  
Cl Atoms

Abstract The title compound, (NH4)2[FeCl5H2O] has been prepared by reaction between iron(III) chloride and ammonium chloride which was formed by hydrolysis of isonicotinamide or thionicotinamide in ethanol. The characterization was based on elemental analysis and infrared spectra. The crystal structure of the title compound has been refined by single crystal X-ray diffraction method at 293 K. Crystals are orthorhombic, Pnma, with unit cell parameters: a = 13.760(1) A, b = 9.960(1) A, c = 7.060(1) A, Z = 4 and R = 3.5 %. The iron(III) atom in [FeCl5(H2O)]2- ion is approximately octahedrally coordinated by five Cl atoms and one O atom of H2O molecule. This distortion is caused by the extensively hydrogen-bonded lattice. Structural parameters and IR spectra of similar compounds are compared and discussed.

scholarly journals Crystal structure of 2-(2,6-diisopropylphenyl)-N,N-diethyl-3,3-dimethyl-2-azaspiro[4.5]decan-1-amine: a diethylamine adduct of a cyclic(alkyl)(amino)carbene (CAAC)

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Roxanne A. Naumann ◽  
Joseph W. Ziller ◽  
Allegra L. Liberman-Martin
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Title Compound ◽  
Lithium Diisopropylamide ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
Lithium Diethylamide ◽  
C Nmr

The structure of the title compound, C27H46N2, at 93 K has monoclinic (P21/n) symmetry. The title compound was prepared by treatment of 2-(2,6-diisopropylbenzene)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium hydrogen dichloride with two equivalents of lithium diethylamide. Characterization of the title compound by single-crystal X-ray diffraction and 1H and 13C NMR spectroscopy is presented. Formation of the diethylamine adduct of the cyclic(alkyl)(amino)carbene (CAAC) was unexpected, as deprotonation using lithium diisopropylamide results in free CAAC formation.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

A New X‐Ray Diffraction Method for Studying Imperfections of Crystal Structure in Polycrystalline Specimens

1951 ◽  
Vol 22 (5) ◽  
pp. 665-672 ◽  
Author(s):  
Alfred J. Reis ◽  
Jerome J. Slade ◽  
Sigmund Weissmann
Keyword(s):  
Crystal Structure ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray

Structural Systematics of Rare Earth Complexes. VII. Crystal Structure of Bis(2,2'/6',2␛-Terpyridinium) Octaaquaterbium(III) Heptachloride Hydrate

1994 ◽  
Vol 47 (2) ◽  
pp. 391 ◽  
Author(s):  
CJ Kepert ◽  
BW Skeleton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Structural Characterization ◽  
Title Compound ◽  
Room Temperature ◽  
Chloride Ions ◽  
Full Matrix ◽  
X Ray

The room-temperature single-crystal X-ray structural characterization of the title compound (tpyH2)2[Tb(OH2)8]Cl7.~2⅓H2O is recorded. Crystals are triclinic, Pī , a 17.063(5), b 16.243(3), c 7.878(3) Ǻ, α 84.78(2), β 84.39(3), γ 87.81(2)°, Z = 2 formula units; 3167 'observed' diffractometer reflections were refined by full-matrix least-squares procedures to a residual of 0.057. Notable features of interest of the compound are the 'chelation' of chloride ions by the terpyridinium cations , and the existence of a free [Tb(OH2)8]2+ cation in the presence of an abundance of chloride ions.

Crystal structure of ab-Bis(3-methylpyridine)-dc,fe-bis(pentane-2,3,4-trione 3-oximato)iron(II)

1978 ◽  
Vol 31 (11) ◽  
pp. 2431 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Chelate Ligands

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction and refined by least squares to a residual of 0.062. Crystals are monoclinic, P2/c, a 19.102(8), b 8.117(4), c 16.610(8) Ǻ, β 111.90(3)°, Z. Unlike the tris(α-oxyimino ketonato)iron(II) complexes which are fac, the present derivative is based upon substitution of the two picoline moieties into a mer derivative, trans to the nitrogen atoms of the chelate ligands. <Fe- N(picoline)> is 2.020; <Fe-N, O(chelate)> 1.880, 1.952 Ǻ.

scholarly journals Magnetically Oriented Powder Crystal to Indexing and Structure Determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Lattice Parameters

In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.

Crystal Structure of Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

1979 ◽  
Vol 32 (2) ◽  
pp. 301 ◽  
Author(s):  
V Diakiw ◽  
TW Hambley ◽  
DL Kepert ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Title Compound ◽  
Lattice Site ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triangular Face ◽  
X Ray

The crystal structure of the title compound, Ca(C6H2N307)2,5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b l0.292(7), c 8.554(2) �, Z 4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2- (unidentate)4]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate: structural evidence of the decomposition product and its oxalate salt

2019 ◽  
Vol 234 (9) ◽  
pp. 613-621
Author(s):  
Marc André Althoff ◽  
Jörn Frederik Martens ◽  
Marco Reichel ◽  
Manfred Metzulat ◽  
Thomas Matthias Klapötke ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Analytical Methods ◽  
Decomposition Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rearrangement Process ◽  
Study Support ◽  
First Time

Abstract The molecular and single crystal structure of O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate oxalate, as determined by single crystal X-ray diffraction studies, is described for the first time; although this compound is well-known by industry and research from the mid-20th century. The known decomposition product of pure O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate could also be structurally characterized. Additionally, the compounds are characterized by recent analytical methods e.g. NMR. The findings of our study support the thesis that the isolated decomposition product must be a by-product of the thiono-thiolo rearrangement process of the title compound.

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