scholarly journals The crystalline structure of benzene

1932 ◽  
Vol 135 (827) ◽  
pp. 491-498 ◽  
Keyword(s):  
Benzene Ring ◽  
Crystalline Structure ◽  
Unit Cell ◽  
Space Group ◽  
Preliminary Results ◽  
Amount Of Information ◽  
Previous Communication ◽  
Cell Dimensions

In a previous communication the writer gave the preliminary results of an investigation on the structure of solid benzene. It may be recalled that the unit cell was found to have the following dimensions at —22° C. ; a = 7·44, b = 9·65, c = 6·81 Å. U., while the space-group was determined as Q h 15 (orthorhombic bipyramidal). The unit cell contains four molecules, the molecules being centro-symmetrical. Since the publication of these results a certain amount of information has been obtained by other investigators. Bruni and Natta took powder photographs of benzene which confirmed the above values of the cell-dimensions; this is very satisfactory, since previous workers (Broomé and Eastman) had obtained axial ratios which did not agree particularly well with each other’s or with the writer’s. Mrs. Lonsdale has shown that in hexamethylbenzene the benzene ring is planar, the diameter of the atoms being 1·42 Å. U. More recently she has examined hexachlorobenzene, and although in this case the investigation did not yield quite such definite results, it was shown that if the ring is planar then again the diameter of the atoms must be 1·42 Å. U.

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

Unit-cell Dimensions and Space Group of 6-Mercaptopurine Monohydrate

Nature ◽  
1956 ◽  
Vol 178 (4529) ◽  
pp. 379-379 ◽  
Author(s):  
K. HOOGSTEEN
Keyword(s):  
Unit Cell ◽  
Space Group ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Clathrathydrate von Tetramethylammoniumhydroxid: Neue Phasen und Kristallstrukturen [1] / Clathrate Hydrates of Tetramethylammonium Hydroxide: New Phases and Crystal Structures [1]

1992 ◽  
Vol 47 (2) ◽  
pp. 263-274 ◽  
Author(s):  
Dietrich Mootz ◽  
Dieter Stäben
Keyword(s):  
Unit Cell ◽  
Tetramethylammonium Hydroxide ◽  
Clathrate Hydrates ◽  
Space Group ◽  
Β Phase ◽  
Metastable Structure ◽  
Cell Dimensions ◽  
Structure Determinations ◽  
Butyl Amine ◽  
Unit Cell Dimensions

The melting diagram of the system tetramethylammonium hydroxide-water has been reinvestigated in the region of 66.67 - 100 mol% H2O , using DTA , DSC and temperature-dependent X-ray powder diffraction. This was done as correction and supplementation of a previous study in the same laboratory (D. Mootz, R. Seidel, J. Incl. Phenom. 8 , 139 (1990)). The system is now considered to contain as many as eight stable hydrates, three of them dimorphic with a low-temperature α and a high-temperature β form. The compositions are Me4NOH · χH2O with χ = 2 (α and β), 4, 4.6 (α and β), 5 (α and β), 6.67, 7.5, 8.75 and 10. A second 7.5-hydrate, called 7 .5 α in the previous study, is now regarded as metastable. - Structure determinations have been performed for the new phases with x = 4.6 (α), 6.67 and 8.75. The 4.6 α-hydrate, transforming to 4.6 β at 32 °C, is cubic with space group Pa3̄ and Z = 40 formula units per unit cell. The lattice constant is a = 21.493 Å at -160 °C. The 6.67-hydrate, melting with decomposition at 13 °C, is monoclinic with space group P21/m and Z = 6 . It was studied as the O-deuterated isotype with unit-cell dimensions a = 11.874, b = 20.019, c = 8.272 Å and β = 103.84° at 3 °C. The 8.75-hydrate, melting with decomposition at - 3 °C, is cubic with space group 14̄3 d, Z = 16 and a = 18.38(2) Å at - 20 °C. The three structures, as most others of the higher hydrates of the system studied previously, are those of polyhedral clathrate hydrates. For the hydrates 4 .6 α and 6.67 deviations of the anionic, i.e. proton-deficient, new water structures from being fully four-connected are described in detail. The 8.75-hydrate is isostructural with the hitherto unparalleled 9.75-hydrate of t-butyl amine. - The phase identity and structure of the 4.6 β-hydrate were recognized as those attributed to an erroneously assumed 5 β-phase in the previous study. 5 β now denotes the room-temperature form of the pentahydrate, previously called 5 α. The present 5 α is another of the new phases and the only one of the system with its structure still undetermined.

Crystallization and preliminary X-ray crystallographic analysis of the Pseudomonas aeruginosa cyclohexadienyl dehydratase

1999 ◽  
Vol 55 (2) ◽  
pp. 539-541
Author(s):  
Palangpon Kongsaeree ◽  
Jun Liang ◽  
Roy A. Jensen ◽  
Jon Clardy
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Crystal Form ◽  
High Energy ◽  
Crystallographic Analysis ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The title protein has been crystallized in a new crystal form. The crystals belong to the cubic space group P4132 (or P4332) with unit-cell dimensions a = b = c = 126.1 Å at 100 K and typically diffract beyond 1.6 Å at the Cornell High Energy Synchotron Source (CHESS) A1 beamline.

scholarly journals Crystallization of the Fv fragment of mouse myeloma protein M315

1979 ◽  
Vol 181 (2) ◽  
pp. 497-499 ◽  
Author(s):  
R Aschaffenburg ◽  
D C Phillips ◽  
D R Rose ◽  
B J Sutton ◽  
S K Dower ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Unit Cell ◽  
Poly Ethylene Glycol ◽  
Myeloma Protein ◽  
Space Group ◽  
Cell Dimensions ◽  
Poly Ethylene ◽  
Unit Cell Dimensions ◽  
Glycol Solution ◽  
Mouse Myeloma

The Fv fragment of mouse myeloma protein M313 was crystallized from poly(ethylene glycol) solution in the form of monoclinic crystals, space group C2 and unit cell dimensions a = 5.96 nm (59.6 A), b = 5.66 nm (56.6 A), c = 13.79 nm (13.9 A) and beta = 99.7 degrees. Some unusual effects of poly(ethylene glycol)on protein crystals were noted and are discussed.

Die Kristallstruktur von Methyltriphenylphosphoniumhexachlorotitanat [MePh3P]2TiCl6 / The Crystal Structure of Methyltriphenylphosphonium Hexachlorotitanate

1981 ◽  
Vol 36 (2) ◽  
pp. 135-137 ◽  
Author(s):  
Evamarie Hey ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Unit Cell ◽  
Distorted Octahedron ◽  
Inversion Center ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions

The crystal structure of [MePh3P]2TiCl6 was determined from X-ray diffraction data and refined to a residual index of R = 0.065. It crystallizes in the space group P2i/n with two formula units per unit cell; the cell dimensions are a - 921, b = 1314, c = 1648 pm and y - 100.87°. The TiCl62- ion occupies an inversion center and has the shape of a slightly distorted octahedron with Ti-Cl distances between 233 and 235 pm.

Crystal structures of phenacylkojate (2-(hydroxymethyl)-5-phenacyloxy-4H-pyran-4-one) and its complex with sodium chloride: bis(phenacylkojate)sodium chloride

1976 ◽  
Vol 54 (17) ◽  
pp. 2723-2732 ◽  
Author(s):  
Simon E. V. Phillips ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Sodium Chloride ◽  
Potassium Iodide ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Hydroxyl Groups ◽  
Space Group ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Iodide Complex

The structures of the title compounds have been determined by three dimensional X-ray crystal structure analysis.Crystals of anhydrous phenacylkojate are monoclinic, space group P21/c, with unit cell dimensions a = 9.087(4), b = 11.764(3), c = 12.714(4) Å, β = 116.57(2)°, Z = 4. The structure was solved by direct methods and refined by full-matrix least-squares to R = 0.044 for 1225 independent diffractometer observations. The crystal structure is held together by hydrogen bonding between carbonyl and hydroxyl groups and [Formula: see text] interactions.Crystals of the sodium chloride complex are monoclinic, space group C2/c, with unit cell dimensions a = 11.3714(6), b = 15.796(1), c = 14.487(1) Å, β = 97.241(5)°, Z = 4. The structure was solved by heavy atom and Fourier methods and comparison with the previously determined structure of the potassium iodide complex. It was refined to R = 0.040 for 1670 independent diffractometer observations. The structure closely resembles that of the potassium iodide complex (P21/n), but in C2/c, the alkali metal ion being eight co-ordinate in each. Na+—O distances are in the range 2.558–2.674 Å and the [Formula: see text] hydrogen bonded distance is 3.266 Å.

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