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The crystal and molecular structure of chrysazin

  • Anand Prakash
Published/Copyright: September 26, 2015
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 122 Issue 1-6

Auszug

Chrysazin C14H804 bildet Kristalle der Raumgruppe P41 oder P43 mit 4 Molekülen in der Elementarzelle und α = 5,76 Å, c = 31,45 Å. Schlußfolgerungen aus den starken Interferenzen, der Molekülpackung und einer angenommenen höheren Symmetrie führten zu einem Strukturmodell, das durch zweidimensionale Fourier- und Differenz-Synthesen und mittels Ausgleichsrechnung verfeinert wurde. Dabei wurden (0kl)-Interferenzen, bei der Ausgleichsrechnung auch (hk0)-Interferenzen verwendet.

Das Molekül ist innerhalb der Fehlergrenzen eben. Die Atomabstände und Bindungswinkel stimmen gut überein mit denen, die bei ähnlichen Substanzen gefunden wurden. Die intermolekularen Abstände entsprechen den van-der- Waalsschen Bindungen, der kleinste, zwischen O1 des Moleküls x, y, ζ und O2 des Moleküls 1, y + 1, z, beträgt 2.68 Å.

Abstract

Chrysazin, C14H8O4, crystallized from the solution of the substance in benzene, is tetragonal, space group P41 or P43, with four molecules in a unit cell of dimensions a = 5.76 Å and c = 31.45 Å. The trial structure, which was derived from the considerations of strong reflections, molecular packing and hypersymmetry, has been refined by two-dimensional (100)-Fourier projections followed by a few cycles of difference synthesis and least-squares refinement. The refinement of all the three parameters x, y, ζ has been done using the Old reflections; however, the MO reflections were also included in the leastsquares refinement. The molecule is planar within the limits of experimental error and the various bond lengths and bond angles agree with those found in similar compounds. All the intermolecular approaches correspond to the normal van der Waals interactions, the closest being 2.68 Å between O2(x,y,z) and O2(x-1, 2/ + 1, z). The crystal and molecular structure has been discussed.

Online erschienen: 2015-9-26
Erschienen im Druck: 1965-12-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. Titelei
  2. Inhaltsverzeichnis des 122. Bandes
  3. Die Kristallstruktur von bis-Cyclooctadien-(1,5)-Nickel(0)
  4. Corrections for x-ray absorption by a crystal of arbitrary shape
  5. Kristall- und Molekülstruktur von bis -Methallylnickel Ni[(CH2)2C · CH]2
  6. A preliminary orienting procedure for single crystals, using the Weissenberg camera
  7. Mg2+–Fe2+ order in an orthopyroxene, Mg0,93Fe1.07Si2O6
  8. On the x-ray determination of the iron-magnesium ratio in biotites
  9. Phases and twinning in C2Al3B48 (beta AlB12)
  10. Packing of B12 groups in boron and boride structures
  11. A crystallographic study of ammonium and rubidium imidodisulphates
  12. Kurze Originalmitteilungen
  13. Die Intensität der an gebogenen Glimmerspaltflächen in höheren Ordnungen reflektierten Röntgenstrahlung
  14. Morphology and space group of hexaantipyrine perchlorate complexes of Mg++, Ca++ and Zn++, and pentaantipyrine perchlorate of Cu++
  15. Kristallographische Daten von Quecksüber(I)-acetat
  16. Preliminary x-ray crystallographic data for 3,7-dideoxy-7-iodo-heptulosonate methyl ester
  17. Crystal structure of magnesium potassium sulfate hexahydrate MgK2(SO4)2 · 6H2O
  18. The crystal structure of glauberite, CaNa2(SO4)2
  19. Beziehungen zwischen den Strukturen der Modifikationen des Platin- und Kupferphthalocyanins und einiger Chlorderivate
  20. Über die Epitaxie von Vitamin B12 auf Quarz
  21. The crystal structure of arsenic tribromide
  22. Stacking faults in cronstedtite and other kaolin-type silicates
  23. Crystal chemistry of alpha-boron derivatives
  24. The crystal and molecular structure of bis(hydrazine)zinc bis(hydrazincarboxylate-N',O)
  25. The crystal and molecular structure of chrysazin
  26. Hydrogen bonding in o-aminophenol hydrochloride
  27. Kurze Originalmitteilungen
  28. A simple Stereographic plotting table
  29. Elastische und thermoelastische Eigenschaften von CaSO4 · 2H2O (Gips)
  30. The unit cell and space group of gadolinium molybdate and of scandium tungstate
  31. The space group of anhydrous copper propionate. An x-ray study of 2,5-dichloro-nitrobenzene
  32. An x-ray study of 3-nitro 4-toluidine. Space group and unit-cell dimensions of 7-chloro, 4-methyl coumarin
  33. Buchbesprechung
  34. Exhibition of Photographs of Crystallographic Interest
  35. The formation of a spinel and a hexagonal ferrite by the thermal transformation of cronstedtite
  36. Growth of NaCl whiskers on NaCl single crystals
  37. A condensed way of representing inorganic close-packed structures
  38. Systematic derivation of inorganic close-packed structures: AX and AX2 compounds, sequence of equal layers
  39. Die Kristall struktur von Lanthantrifluorid
  40. Über Verbindungen vom Anti-LaF3-Strukturtyp
  41. Atomanordnung und Strukturverfeinerung von Cancrinit
  42. The crystal structure of YB4
  43. The crystal structure of rathite-I
  44. A phase transition in potassium chromium sulphate alum at low temperature
  45. Origin of dislocations in solution-grown crystals
  46. L’oxonium dans certains composés uranifères
  47. An x-ray study of metal complexes of biguanide
  48. A preliminary investigation of the structure of mercury dibenzyl
  49. Âutorenregister zu Band 122
  50. Sachregister zu Band 122
https://doi.org/10.1515/zkri-1965-1-624

Articles in the same Issue

  1. Titelei
  2. Inhaltsverzeichnis des 122. Bandes
  3. Die Kristallstruktur von bis-Cyclooctadien-(1,5)-Nickel(0)
  4. Corrections for x-ray absorption by a crystal of arbitrary shape
  5. Kristall- und Molekülstruktur von bis -Methallylnickel Ni[(CH2)2C · CH]2
  6. A preliminary orienting procedure for single crystals, using the Weissenberg camera
  7. Mg2+–Fe2+ order in an orthopyroxene, Mg0,93Fe1.07Si2O6
  8. On the x-ray determination of the iron-magnesium ratio in biotites
  9. Phases and twinning in C2Al3B48 (beta AlB12)
  10. Packing of B12 groups in boron and boride structures
  11. A crystallographic study of ammonium and rubidium imidodisulphates
  12. Kurze Originalmitteilungen
  13. Die Intensität der an gebogenen Glimmerspaltflächen in höheren Ordnungen reflektierten Röntgenstrahlung
  14. Morphology and space group of hexaantipyrine perchlorate complexes of Mg++, Ca++ and Zn++, and pentaantipyrine perchlorate of Cu++
  15. Kristallographische Daten von Quecksüber(I)-acetat
  16. Preliminary x-ray crystallographic data for 3,7-dideoxy-7-iodo-heptulosonate methyl ester
  17. Crystal structure of magnesium potassium sulfate hexahydrate MgK2(SO4)2 · 6H2O
  18. The crystal structure of glauberite, CaNa2(SO4)2
  19. Beziehungen zwischen den Strukturen der Modifikationen des Platin- und Kupferphthalocyanins und einiger Chlorderivate
  20. Über die Epitaxie von Vitamin B12 auf Quarz
  21. The crystal structure of arsenic tribromide
  22. Stacking faults in cronstedtite and other kaolin-type silicates
  23. Crystal chemistry of alpha-boron derivatives
  24. The crystal and molecular structure of bis(hydrazine)zinc bis(hydrazincarboxylate-N',O)
  25. The crystal and molecular structure of chrysazin
  26. Hydrogen bonding in o-aminophenol hydrochloride
  27. Kurze Originalmitteilungen
  28. A simple Stereographic plotting table
  29. Elastische und thermoelastische Eigenschaften von CaSO4 · 2H2O (Gips)
  30. The unit cell and space group of gadolinium molybdate and of scandium tungstate
  31. The space group of anhydrous copper propionate. An x-ray study of 2,5-dichloro-nitrobenzene
  32. An x-ray study of 3-nitro 4-toluidine. Space group and unit-cell dimensions of 7-chloro, 4-methyl coumarin
  33. Buchbesprechung
  34. Exhibition of Photographs of Crystallographic Interest
  35. The formation of a spinel and a hexagonal ferrite by the thermal transformation of cronstedtite
  36. Growth of NaCl whiskers on NaCl single crystals
  37. A condensed way of representing inorganic close-packed structures
  38. Systematic derivation of inorganic close-packed structures: AX and AX2 compounds, sequence of equal layers
  39. Die Kristall struktur von Lanthantrifluorid
  40. Über Verbindungen vom Anti-LaF3-Strukturtyp
  41. Atomanordnung und Strukturverfeinerung von Cancrinit
  42. The crystal structure of YB4
  43. The crystal structure of rathite-I
  44. A phase transition in potassium chromium sulphate alum at low temperature
  45. Origin of dislocations in solution-grown crystals
  46. L’oxonium dans certains composés uranifères
  47. An x-ray study of metal complexes of biguanide
  48. A preliminary investigation of the structure of mercury dibenzyl
  49. Âutorenregister zu Band 122
  50. Sachregister zu Band 122
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