X-Ray Single Crystal Analysis of Oligo(oxymethylene) Diacetates

Bismuth calcium aluminate, Bi2Ca6Al12O27, has been prepared as a ceramic and a single crystal. Analysis of reciprocal space using both electron and X-ray diffraction show an R-centred hexagonal unit cell: a = b = 17.3892 (4), c = 6.986 (1) Å. Additional weak reflections are observed; they require the introduction of a modulation wavevector q = 0.0453 (2)c* for indexing. The modulated structure has been solved using the superspace formalism [superspace group X\overline{3}(00\gamma)0]. A framework of corner-sharing AlO4 tetrahedra forms corrugated sixfold rings and uncommon triple rings. The Ca2+ cations exhibit an eightfold coordination sphere; edge-sharing CaO8 polyhedra form intertwinned zigzagging rows along c creating a three-dimensional net. Bi atoms are located in large hexagonal tunnels parallel to c and form Bi2O3 pairs, which adopt a trigonal bipyramidal configuration. The 6s 2 lone-electron pairs (Lp) point along c, in the opposite direction to the three Bi—O strong bonds to form two BiO3Lp tetrahedra with a common base. Different orientations of the Bi2O3Lp2 pairs, rotated by 60° around c, are observed. Their stacking modes in each of the hexagonal tunnels are described. The sequence of the stacking varies along c in each of the tunnels.

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X-ray single crystal analysis of the phase transitions in NH4MnCl3. Some Mossbauer-X-ray spectra relations

Ferroelectrics ◽

10.1080/00150197808237840 ◽

1978 ◽

Vol 19 (1) ◽

pp. 123-130 ◽

Cited By ~ 21

Author(s):

J. D. Tornero ◽

F. H. Cano ◽

J. Payos ◽

M. Martinez-Ripoll

Keyword(s):

Phase Transitions ◽

Single Crystal ◽

X Ray ◽

Single Crystal Analysis

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The effect of hydrogen bonds on the conformation of glycosphingolipids. Methylated and unmethylated cerebroside studied by X-ray single crystal analysis and model calculations

Chemistry and Physics of Lipids ◽

10.1016/0009-3084(90)90002-9 ◽

1990 ◽

Vol 52 (1) ◽

pp. 1-10 ◽

Cited By ~ 56

Author(s):

Per-Geor Nyholm ◽

Irmin Pascher ◽

Staffan Sundell

Keyword(s):

Hydrogen Bonds ◽

Single Crystal ◽

Model Calculations ◽

X Ray ◽

Single Crystal Analysis

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The Preparation of 1,2-Bis(2,2′:6′,2′′-Terpyridin-4′yl)Ethanone: The First Example of 4′-Terpyridyls Unsymmetrically Linked by a Functionalized Two-Carbon Chain

Australian Journal of Chemistry ◽

10.1071/ch04042 ◽

2004 ◽

Vol 57 (7) ◽

pp. 689 ◽

Cited By ~ 1

Author(s):

Zhi-Long Chen ◽

Ronald N. Warrener ◽

Douglas N. Butler

Keyword(s):

Sulfuric Acid ◽

Hydrochloric Acid ◽

Single Crystal ◽

Coupling Reaction ◽

Carbon Chain ◽

Sodium Cyanide ◽

Starting Material ◽

X Ray ◽

Concentrated Sulfuric Acid ◽

Single Crystal Analysis

1,2-Bis(2,2′:6′,2′′-terpyridin-4′yl)ethanone 7, an unsymmetrically linked bis-tridentatate ligand, was prepared by treatment of 4′-cyanomethylterpyridine 10 (RT, overnight) or 4′-(methoxycarbonylmethyl)terpyridine 11 (60°C, 7 h) with concentrated hydrochloric acid. These conversions, which involved an unprecedented homo-coupling reaction, are discussed with the structure of 7 being confirmed by X-ray single crystal analysis. The nitrile starting material 10 was prepared by reaction of the mesylate 9, derived from the known 4′-hydroxymethylterpyridine 8 with sodium cyanide, while ester 11 was prepared by reaction of 10 with methanol in the presence of concentrated sulfuric acid.

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Preferred conformation and dynamics of the glycerol backbone in phospholipids. An NMR and x-ray single-crystal analysis

Biochemistry ◽

10.1021/bi00426a014 ◽

1988 ◽

Vol 27 (26) ◽

pp. 9166-9174 ◽

Cited By ~ 65

Author(s):

H. Hauser ◽

I. Pascher ◽

S. Sundell

Keyword(s):

Single Crystal ◽

Glycerol Backbone ◽

X Ray ◽

Single Crystal Analysis

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5-Allyl-9-oxobenzomorphans. Part 2. The Crystal and Molecular Structure of an Unusual Product of Dequaternization of 5-Allyl-9-oxobenzomorphan Methobromide

Canadian Journal of Chemistry ◽

10.1139/v75-467 ◽

1975 ◽

Vol 53 (21) ◽

pp. 3276-3284 ◽

Cited By ~ 5

Author(s):

Farid R. Ahmed ◽

Michel Saucier ◽

Ivo Monković

Keyword(s):

Molecular Structure ◽

Crystal Structure ◽

Single Crystal ◽

Least Squares ◽

Crystal And Molecular Structure ◽

Heavy Atom ◽

Methoxy Derivative ◽

X Ray ◽

Unusual Product ◽

Single Crystal Analysis

The synthesis of 5-allyl-2'-methoxy-9-oxo-6,7-benzomorphan (5b) is described. The 10-hydroxy-2-methyl-1,11-propano-9H-indeno-1,2,10,11-tetrahydro[2,1-c]pyridine (7a) and the corresponding 6-methoxy derivative (7b) are unexpected products of pyrolysis of 5-allyl-2-methyl-9-oxobenzomorphan methobromide (4a) and 5-allyl-2′-methoxy-2-methyl-9-oxobenzomorphan methobromide (4b) respectively. The molecular structure of 7a (C16H19NO) has been determined from spectral and microanalytical data, and confirmed by X-ray single crystal analysis on its hydrobromide salt using the heavy atom technique. The crystals of [C16H20NO]+Br− are monoclinic, P21/a, with a = 13.724(2), b = 14.022(3), c = 7.495(2) Å, β = 97.33(5)°, and Z = 4. The crystal structure has been refined by block-diagonal least-squares calculations to R and Rw = 0.036 for the 2197 observed reflections. The N atom has planar trigonal coordination, and forms one double and two single C—N bonds of lengths 1.273(4), 1.465(4), and 1.474(4) Å, respectively. The Br is hydrogen-bonded to O. The N and O atoms are trans.

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Synthesis of mesomeric betaine compounds with imidazolium-enolate structure

Beilstein Journal of Organic Chemistry ◽

10.3762/bjoc.8.42 ◽

2012 ◽

Vol 8 ◽

pp. 390-397 ◽

Cited By ~ 8

Author(s):

Nina Gonsior ◽

Fabian Mohr ◽

Helmut Ritter

Keyword(s):

Ir Spectroscopy ◽

Single Crystal ◽

Inclusion Complexes ◽

Polymer Networks ◽

Reaction Conditions ◽

X Ray ◽

Vis Spectroscopy ◽

Single Crystal Analysis

The synthesis of a heterocyclic mesomeric betaine by quaternization reaction of 1-butylimidazole and tetrabromo-1,4-benzoquinone is presented. The structure was verified by means of X-ray single-crystal analysis, NMR and IR spectroscopy. Inclusion complexes of the heterocyclic mesomeric betaine with randomly methylated (1.8) β-cyclodextrin were investigated by UV–vis spectroscopy. Furthermore, the reaction conditions were applied to poly(vinylimidazole) and 1,4-bis(1H-imidazol-1-yl)butane to obtain functionalized polymer networks and condensate polymers, respectively.

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