Molecular geometry and crystal structure of 9-acetylanthracene

1984 ◽  
Vol 37 (6) ◽  
pp. 1337 ◽  
Author(s):  
K Anderson ◽  
H Becker ◽  
LM Engelhardt ◽  
L Hansen ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
Molecular Geometry ◽  
Interplanar Distance ◽  
Short Axis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Acetyl Group

The molecular geometry of 9-acetylanthracene has been established by X-ray diffraction analysis. The acetyl group is twisted out of the plane of the aromatic π-system by 88�. The intermolecular geometry in crystalline 9-acetylanthracene is characterized by head-to-tail pairs with an interplanar distance of 3.42 � between parallel aligned anthracene moieties. Parallel adjacent molecules of 9-acetylanthracene deviate from perfect overlap by a long-axis shift of 1.35 �, and a short-axis shift of 0.88 �.

(E)-1-(9-Anthryl)-2-(10-methyl-9-anthryl)ethene: Molecular Structure and Spectroscopic Properties

1985 ◽  
Vol 38 (5) ◽  
pp. 809 ◽  
Author(s):  
H Becker ◽  
L Hansen ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal Lattice ◽  
Molecular Geometry ◽  
Spectroscopic Properties ◽  
Interplanar Distance ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triphenylphosphonium Bromide

(E)-1-(9-Anthryl)-2-(10-methyl-9-anthryl) ethelle has been synthesized from 10-methyl-9-anthraldehyde and (9-anthrylmethyl) triphenylphosphonium bromide, and its crystal structure has been determined by X-ray diffraction. Its molecular geometry was found to be such as to have the planes of the two anthracene moieties form an angle of 70.8°, the plane of the ethene bond bring twisted out of the planes of the anthracenes by an angle of about 55°. The intermolecular arrangement of parallel adjacent molecules in the crystal lattice is characterized by shifts about the short and long axes of the anthracenes. The excimer-like crystal fluorescence is attributed to the interplanar distance of 3.5 Ǻ between anthracene π- systems in parallel adjacent molecules. Crystals are triclinic, Pī , a 12.95(1), b 9.316(6), c 9.098(9) Ǻ, α 86.17(7), β 72.26(7), γ 74.61(6)°,Z 2; R was 0.054 for 1059 independent 'observed' reflections.

Synthesis and X-ray diffraction analysis of the tetrazole peptide analogue Pro-LeuΨ[CN4]Gly-NH2

1988 ◽  
Vol 53 (11) ◽  
pp. 2863-2876 ◽  
Author(s):  
Giovanni Valle ◽  
Marco Crisma ◽  
Kuo-Long Yu ◽  
Claudio Toniolo ◽  
Ram K. Mishra ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Diffraction Analysis ◽  
Dopamine Receptor ◽  
Torsion Angle ◽  
Peptide Bond ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conformationally Restricted ◽  
Bond Characteristic

The synthesis of an analogue of the neuropharmacologically active peptide Pro-Leu-Gly-NH2 in which the Leu-Gly peptide bond has been replaced with a tetrazole moiety was carried out. The molecular and crystal structure of the tetrazole analogue Pro-Leuψ[CN4]Gly-NH2 was determined by X-ray diffraction and a comparison was made with the published X-ray structure of Pro-Leu-Gly-NH2. The tetrazole annular system turns out to be a good conformationally-restricted replacement for the cis-peptide bond in terms of bond lengths, bond angles and the ω torsion angle. The molecule was found to be folded at the -Leuψ[CN4]Gly- sequence, but it did not form the intramolecular N-H···O=C hydrogen bond characteristic of the type Vla β-bend conformation. In contrast to Pro-Leu-Gly-NH2, Pro-Leuψ[CN4]Gly-NH2 was found to be unable to enhance the binding of dopamine receptor agonists to the dopamine receptor.

scholarly journals X-ray Crystallographic Study of Ranaconitine

2011 ◽  
Vol 6 (11) ◽  
pp. 1934578X1100601
Author(s):  
Yang Li ◽  
Jun-Hui Zhou ◽  
Gui-Jun Han ◽  
Min-Juan Wang ◽  
Wen-Ji Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Critical Role ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Crystallographic Study ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The crystal structure of natural diterpenoid alkaloid ranaconitine isolated from Aconitum sinomontanum Nakai has been determined by single crystal X-ray diffraction analysis. The crystal presents a monoclinic system, space group C2 with Z = 4, unit cell dimensions a = 30.972(19) Å, b = 7.688(5) Å, and c = 19.632(12) Å. Moreover, the intermolecular O–H···O hydrogen bonds and weak π-π interactions play a critical role in expanding the dimensionality.

X-ray diffraction analysis of double molibdates CsDy(MoO4)2 and CsDy0.93Eu0.07(MoO4)2: 1. Crystal structure

1996 ◽  
Vol 175 (1) ◽  
pp. 85-89 ◽  
Author(s):  
S. D. El'chaninova ◽  
V. P. Kuznetsov ◽  
E. E. Lakin ◽  
S. V. Matveev ◽  
O. D. Kolotiy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
X Ray

Crystal structure of Tetracyclo[5,3,1,12,6,04,9]dodecane (iceane)

1977 ◽  
Vol 30 (8) ◽  
pp. 1837 ◽  
Author(s):  
DPG Hamon ◽  
CL Raston ◽  
GF Taylor ◽  
JN Varghese ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rigid Body ◽  
Least Squares ◽  
Title Compound ◽  
Molecular Geometry ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hexagonal Close Packed

The crystal structure of the title compound, C12H18, has been determined at 295 K by X-ray diffraction and refined by full-matrix least squares to a residual of 0.049 for 216 ?observed? reflections; molecular geometry has been corrected for the effects of thermal motion using a rigid body approximation. Crystals are hexagonal, P63/m, a = 6.582(1), c = 11.843(3) Ǻ, Z = 2, the molecules occupying a hexagonal close- packed array.

π-Olefin-Iridium-Komplexe, XXII [1]. C-H-Aktivierung von aromatischen und aliphatischen Solvensmolekülen RH bei der Reaktion von [Cp*IrCI2]2 mit Butadienmagnesium unter Bildung von [Cp*Ir(η3-C4H7)R] sowie Kristallstruktur von [Cp*Ir(η3-C4H7)C6H5] / π-Olefin Iridium Complexes, XXII [1]. C-H Activation of Aromatic and Aliphatic Solvent Molecules RH in the Reaction of [Cp*IrCl2]2 with Butadienemagnesium with Formation of [Cp*Ir(η3-C4H7)R], and Crystal Structure of [Cp*Ir(η3-C4H7)C6H5]

1994 ◽  
Vol 49 (12) ◽  
pp. 1645-1653 ◽  
Author(s):  
Jörn Müller ◽  
Petra Escarpa Gaede ◽  
Ke Qiao
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Diffraction Analysis ◽  
Iridium Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nmr Spectrometry ◽  
Benzene Toluene ◽  
Solvent Molecules ◽  
Mechanism Of The Reaction

Reactions of [Cp*IrCl2]2 (Cp*=η3-C5Me5) with [MgC4H6·2 THF]n at low temperature give [Cp*Ir(η4-C4H6)] together with [Cp*Ir(η3-C4H7)R] compounds, the latter being formed via C-H activation of solvent molecules RH (RH = benzene, toluene, anisole, thiophene, furane, N-methylpyrrole, pentane, cyclohexane. THF). In the case of pyrrole, C-N -activation occurs. The ratio of syn and anti isomers of the 1-methylallyl complexes as well as the sites of C-H activation of RH were investigated by NMR spectrometry. An enantiomorphous crystal of [Cp*Ir(η3-C4H7)C6Hs] was characterized by X-ray diffraction analysis which reveals trigonal planar coordination at the Ir atom and an exo, syn conformation of the 1-methylallyl ligand. A mechanism of the reaction which involves 16-electron intermediates is discussed. The corresponding system [Cp*RhCl2]2/butadienemagnesium/RH gives only [Cp*Rh(η4-C4H6)], and no C-H activation is observed.

scholarly journals Darstellung von μ-Nitroso-bis(pentahydro-closo-hexaborat)(3-) und Kristallstruktur von Cs3[B6H5(NO)B6H5] / Preparation of μ-nitroso-bis(pentahydro-closo-hexaborate)(3-) and crystal structure of Cs3[B6H5(NO)B6H5]

1994 ◽  
Vol 49 (9) ◽  
pp. 1263-1266 ◽  
Author(s):  
A. Franken ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Ion Exchange ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Diethylaminoethyl Cellulose

By electrochemical oxidation of [B6H6]2- in the presence of nitrite ions and of the base DBU in dichlorom ethane solution the μ-nitroso-bis(pentahydrohexaborate) [B6H5(NO)B6H5]3- ion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structure of the Cs salt has been determined from single crystal X-ray diffraction analysis. Cs3[B6H5(NO)B6H5] is orthorhombic, space group Pnma with a = 16.2303(13), b = 12.245(6), c = 25.444(2) Å. The unit cell contains three crystallographically independent anions with nearly C2v symmetry but differently distorted B6 cages

Darstellung, 11B-NMR- und Schwingungsspektren von c/s-Monoethylmononitrotetrahydro- c/050-hexaborat(2-) sowie Kristallstruktur von cis (Ph4As)2[B6H4(C2H5)(NO2)] / Synthesis, 11B NMR and Vibrational Spectra of cis-Monoethylmononitrotetrahydroc-closo-hexaborate(2-) and Crystal Structure of cis-(Ph4As)2[B6 H4 (C2H5 )(NO2)]

1999 ◽  
Vol 54 (6) ◽  
pp. 772-776 ◽  
Author(s):  
C. Drewes ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
Vibrational Spectra ◽  
X Ray Diffraction ◽  
Nmr Spectrum ◽  
Dichloromethane Solution ◽  
Triclinic Space Group ◽  
X Ray ◽  
11B Nmr ◽  
Ir And Raman

By electrochemical oxidation of (n-Bu4N)[B6H5Hfac(C2H5)] in the presence of nitrite ions and of the base DBU in dichloromethane solution cis-[B6H4(C2H5)(NO2)]2- is formed. X-ray diffraction analysis has been performed on a single crystal of cis-(Ph4 As)2[B6H4(C2H5)(NO2)] (triclinic, space group P1; a = 10.673(4). b = 10.907(4), c = 21.237(4) A, α = 80.789(4), β = 83.117(4), γ = 66.548(2)°, Z = 2). The 11B NMR spectrum is consistent with a disubstituted octahedral B6 cage with local Cs symmetry. The IR and Raman spectra exhibit characteristic CH3, CH2, NO2, BN, BH and B6 vibrations

A Novel Indole-Containing Diarylethene: Synthesis, Crystal Structure and Photochromism

2017 ◽  
Vol 41 (7) ◽  
pp. 423-426 ◽  
Author(s):  
Chunhong Zheng ◽  
Guanming Liao ◽  
Congbin Fan ◽  
Renjie Wang ◽  
Shouzhi Pu
Keyword(s):  
Crystal Structure ◽  
Quantum Yield ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Phenyl Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Meta Position ◽  
Thiophene Moiety ◽  
Photochemical Properties

An indole-containing diarylethene with a trifluoromethyl function at the meta-position of the phenyl group attached to the thiophene moiety was synthesised. Its structure was determined by single-crystal X-ray diffraction analysis and its photochemical properties in solution and in the single crystalline phases were studied. The compound showed relatively high fluorescent modulation efficiency and cyclisation quantum yield.

Schwingungsspektrum und Kristallstruktur des fünffach-koordinierten cis-Dioxo-dipicolinato-vanadat(V)-Anions / Vibrational Spectrum and Crystal Structure of the cis-Dioxo-dipicolinato-vanadium(V) Anion

1978 ◽  
Vol 33 (3) ◽  
pp. 265-267 ◽  
Author(s):  
Bernhard Nuber ◽  
Johannes Weiss ◽  
Karl Wieghardt
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Vibrational Spectrum ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Trigonal Bipyramid ◽  
Ir And Raman

Abstract cis-Dioxo-dipicolinato-vanadate(V), Crystal Structure, IR, Raman The crystal structure of Cs[V(O)2(dipic)]·H2O (dipic = pyridine-2,6-dicarboxylate) has been determined by single crystal x-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/a, with cell constants a =737.8(3), 6=1917.5(5), c = 792.9(3) pm, β= 94.87(6)°, and Z = 4. The geometry about vanadium is a distorted trigonal bipyramid containing a cis-dioxo moiety (∢ O-V-O 109.9(3)°, V=O bond lengths 161.0(6) and 161.5(6) pm). Vibrational absorptions νs(V - 0) and νas(V=O) were found at 956 and 947 cm-1 in the IR and Raman spectrum, resp.

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