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Crystal structure and molecular packing analysis of 1,5-anhydropentitols and per-O-acetyl derivatives

Veröffentlicht/Copyright: 28. Juli 2010
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 210 Heft 9

Abstract

The crystal structures of three 1,5-anhydropentitols of formulae C5H10O4 and their per-O-acetyl derivatives of formulae C11H16O7 are reported. 1,5-anhydro-D-arabinitol (ADA), 1,5-anhydroribitol (AR), 1,5-anhydroxylitol (AX), 2,3,4-tri-O-acetyl-1,5-anhydro-D-arabinitol (AcADA), 2,3,4-tri-O-acetyl-1,5-anhydroribitol (AcAR) and 2,3,4-tri-O-acetyl-1,5-anhydroxylitol (AcAX) have the following space group and unit cell parameters: ADA, orthorhombic, P212121, a = 6.521(1) Å, b = 6.826(1) Å, c = 13.557(3) Å; AR, monoclinic, P21/n, a = 6.515(1) Å, b = 12.003(1) Å, c = 8.272(1) Å, β = 105.65(1)°; AX, monoclinic, P21/n, a = 6.652(2) Å, b = 9.224(2) Å, c = 10.548(2) Å, β = 101.80(1)°; AcADA, orthorhombic, P212121, a = 8.182(2) Å, = 10.768(2) Å, c = 15.111(3) Å; AcAR, monoclinic, P21/c, a = 15.178(1) Å, b = 10.339(1) Å, c = 8.038(1) Å, β = 92.50(1)°; and AcAX, monoclinic, P21/c, a = 12.092(1) Å, b = 9.066(1) Å, c = 12.492(2) Å, β = 102.39(1)°. The structures were solved using direct methods and refined by full-matrix least-squares techniques to R indices of 0.033, 0.042, 0.045, 0.066, 0.055 and 0.048, respectively. The pyranoid ring adopts 4C1 chair confirmation in the molecules of AR, AX and AcAX, and the 1C4 one in the molecules of ADA, AcADA and AcAR. Theoretical methods were used to examine lattice energetics and molecular packing in the crystals formed.

Published Online: 2010-7-28
Published in Print: 1995-9-1

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

Artikel in diesem Heft

  1. The intensity of forbidden reflections of pyrope: Umweganregung or symmetry reduction?
  2. Darstellung und Kristallstruktur von fehlordnungsfreiem Bismuttriiodid
  3. Al2GeO4(OH)2: Rietveld refinement and stereochemical discussion
  4. Crystal structure of bis(N-methyl-3-ethoxysalicylideneaminato)-copper(II)
  5. Molecular structure and intermolecular organization in the crystalline 1:2 complex of Zn(II)-tetra(3-hydroxyphenyl)porphyrin with dimethylsulphoxide
  6. Crystal and molecular structures of three diimine adducts of diphenyltin dichloride
  7. Trigonal planar geometry of silver in bis[acetatotriphenylphosphinesilver(I)] hemihydrate, [CH3CO2Ag · P(C6H5)3]2 · ½ H2O
  8. Crystal structure and molecular packing analysis of 1,5-anhydropentitols and per-O-acetyl derivatives
  9. Crystal structure of oxonium hexachloroplatinate(IV), (H3O)2PtCl6
  10. Crystal structure of titanium(III) borate, TiBO3
  11. Crystal structure of thorium tetrarhenium disilicide, ThRe4Si2
  12. Crystal structure of hafnium(IV) chloride, HfCl4
  13. Crystal structure of indium aluminium ditelluride, InAlTe2
  14. Crystal structure of thallium tetrabromoferrate(III), TlFeBr4
  15. Crystal structure of caesium tetraiodoferrate(III), CsFeI4
  16. Redetermination of the crystal structures of lithium zinc iodide, Li2ZnI4, and sodium zinc chloride, Na2ZnCl4
  17. Crystal structures of oxoselenoantimonates(III) of sodium and rubidium, Na6(Sb12O18)(SbSe3)2(Na1.86Sb0.14)((OH)2.28(H2O)4.02) and Rb6(Sb12O18)(SbSe3)2Sb0.22((OH)0.66(H2O)3.48)
  18. Crystal structure of carbonyl(η5-cyclopentadienyl)[(R)-(+)-iminphos]-iron(II)-hexafluorophosphate, ([(R)-(+)-iminphos] = (+)-diphenyl(2-{[(R)-1-phenylethylimino]methyl}phenyl)-phosphane), C33H29FePNO(PF6)
  19. Crystal structure of bis(tricyclohexylphosphine)gold(I) bis(1,2-dicyanoethylene-1,2-dithiolato)aurate(III),Au(P(C6H11)3)2Au(C2(CN)2S2)2
  20. Crystal structure of catena-bis[μ-(diphenyldithiophospinato)-digold](Au–Au), C12H10AuPS2
  21. Crystal structure of 5-(2,6-dichlorophenyl)-4-ethoxycarbonyl-3-phenyl-δ2-isoxazoline, C18H15Cl2NO3
  22. Crystal structure of N,N,N′,N′-bis(cyclohexylethyl)thiuram disulphide, C9H16NS2
  23. Crystal structure of 3-(2-furyl)acrylic acid, C7H6O3
  24. Crystal structure of 1-trimethylammonium-4-dimethylaminobenzene ozonide, (CH3)2N(C6H4)N(CH3)3O3
  25. Crystal structure of tetraphenylphosphonium hexaaquadichloropraseodym(III) dihydrate, (P(C6H5)4(PrCl2(H2O)6)Cl2(H2O)2
  26. Crystal structure of 1,1-biscyclopentadienyl-2,4-bis(trimethylsilyl)-3-(t-butylethynyl)-7-(t-butyl)zirconacyclohepta-2,4,5,6-tetraene, C32H46Si2Zr
  27. Crystal structure of (Z)-2,3-bis(3,4-dimethoxyphenyl)-2-propen-1-ol–benzene(2/1), C22H25O5
  28. Crystal structure of 2,2′-anhydro-5-ethyluridine, C11H14N2O5
  29. Crystal structure of (E)-5-(1-butenyl)-2′-deoxyuridine, C13H18N2O5
  30. Crystal structure of bis(1-aza-bicylo[2.2.2]octane)-dicyano-mercury(II), Hg(C7H13N)2(CN)2
  31. Crystal structure of diaquabis(isothiocyanato)bis(1,3,5,7-tetraazatricyclo[3.3.1.1]decane)nickel(II) tetraaquabis(isothiocyanato)nickel(II) water(1/1/2), (Ni(NCS)2(C6H12N4)2(H2O)2)(Ni(NCS)2(H2O)4)(H2O)2
  32. Crystal structure of trimethyl-dibenzo[b,e]2-azabicyclo[2.2.2]octane-2,3,3-carboxylate, C21H19NO6
  33. Crystal structure of bis(2-nitro-4-trifluoromethyl-benzenesulfonyl)imide sodium salt monohydrate, Na(C6H3NO2CF3SO2)2N(H2O)
  34. Crystal structure of tricarbonyl{5-ethoxycarbonyl-([2.2]metacyclophane)}-anti-chromium, (C19H20O2)Cr(CO)3
  35. Crystal structure of tricarbonyl{5-ethoxycarbonyl-{dispiro-[1,3-dithiane-2,1′-[2.2]metacyclophane-10′,2″[1,3]dithiane]-(B)}}-anti-chromium, (C25H28O2S4)Cr(CO)3
  36. Redetermination of the crystal structure of bis(N-2-hydroxyethylsalicylideneaminato)copper(II), Cu(C9H10NO2)2
  37. Redetermination of the crystal structure of bis(N-phenylsalicylideneaminato)copper(II), Cu(C13H10NO)2
https://doi.org/10.1524/zkri.1995.210.9.676

Artikel in diesem Heft

  1. The intensity of forbidden reflections of pyrope: Umweganregung or symmetry reduction?
  2. Darstellung und Kristallstruktur von fehlordnungsfreiem Bismuttriiodid
  3. Al2GeO4(OH)2: Rietveld refinement and stereochemical discussion
  4. Crystal structure of bis(N-methyl-3-ethoxysalicylideneaminato)-copper(II)
  5. Molecular structure and intermolecular organization in the crystalline 1:2 complex of Zn(II)-tetra(3-hydroxyphenyl)porphyrin with dimethylsulphoxide
  6. Crystal and molecular structures of three diimine adducts of diphenyltin dichloride
  7. Trigonal planar geometry of silver in bis[acetatotriphenylphosphinesilver(I)] hemihydrate, [CH3CO2Ag · P(C6H5)3]2 · ½ H2O
  8. Crystal structure and molecular packing analysis of 1,5-anhydropentitols and per-O-acetyl derivatives
  9. Crystal structure of oxonium hexachloroplatinate(IV), (H3O)2PtCl6
  10. Crystal structure of titanium(III) borate, TiBO3
  11. Crystal structure of thorium tetrarhenium disilicide, ThRe4Si2
  12. Crystal structure of hafnium(IV) chloride, HfCl4
  13. Crystal structure of indium aluminium ditelluride, InAlTe2
  14. Crystal structure of thallium tetrabromoferrate(III), TlFeBr4
  15. Crystal structure of caesium tetraiodoferrate(III), CsFeI4
  16. Redetermination of the crystal structures of lithium zinc iodide, Li2ZnI4, and sodium zinc chloride, Na2ZnCl4
  17. Crystal structures of oxoselenoantimonates(III) of sodium and rubidium, Na6(Sb12O18)(SbSe3)2(Na1.86Sb0.14)((OH)2.28(H2O)4.02) and Rb6(Sb12O18)(SbSe3)2Sb0.22((OH)0.66(H2O)3.48)
  18. Crystal structure of carbonyl(η5-cyclopentadienyl)[(R)-(+)-iminphos]-iron(II)-hexafluorophosphate, ([(R)-(+)-iminphos] = (+)-diphenyl(2-{[(R)-1-phenylethylimino]methyl}phenyl)-phosphane), C33H29FePNO(PF6)
  19. Crystal structure of bis(tricyclohexylphosphine)gold(I) bis(1,2-dicyanoethylene-1,2-dithiolato)aurate(III),Au(P(C6H11)3)2Au(C2(CN)2S2)2
  20. Crystal structure of catena-bis[μ-(diphenyldithiophospinato)-digold](Au–Au), C12H10AuPS2
  21. Crystal structure of 5-(2,6-dichlorophenyl)-4-ethoxycarbonyl-3-phenyl-δ2-isoxazoline, C18H15Cl2NO3
  22. Crystal structure of N,N,N′,N′-bis(cyclohexylethyl)thiuram disulphide, C9H16NS2
  23. Crystal structure of 3-(2-furyl)acrylic acid, C7H6O3
  24. Crystal structure of 1-trimethylammonium-4-dimethylaminobenzene ozonide, (CH3)2N(C6H4)N(CH3)3O3
  25. Crystal structure of tetraphenylphosphonium hexaaquadichloropraseodym(III) dihydrate, (P(C6H5)4(PrCl2(H2O)6)Cl2(H2O)2
  26. Crystal structure of 1,1-biscyclopentadienyl-2,4-bis(trimethylsilyl)-3-(t-butylethynyl)-7-(t-butyl)zirconacyclohepta-2,4,5,6-tetraene, C32H46Si2Zr
  27. Crystal structure of (Z)-2,3-bis(3,4-dimethoxyphenyl)-2-propen-1-ol–benzene(2/1), C22H25O5
  28. Crystal structure of 2,2′-anhydro-5-ethyluridine, C11H14N2O5
  29. Crystal structure of (E)-5-(1-butenyl)-2′-deoxyuridine, C13H18N2O5
  30. Crystal structure of bis(1-aza-bicylo[2.2.2]octane)-dicyano-mercury(II), Hg(C7H13N)2(CN)2
  31. Crystal structure of diaquabis(isothiocyanato)bis(1,3,5,7-tetraazatricyclo[3.3.1.1]decane)nickel(II) tetraaquabis(isothiocyanato)nickel(II) water(1/1/2), (Ni(NCS)2(C6H12N4)2(H2O)2)(Ni(NCS)2(H2O)4)(H2O)2
  32. Crystal structure of trimethyl-dibenzo[b,e]2-azabicyclo[2.2.2]octane-2,3,3-carboxylate, C21H19NO6
  33. Crystal structure of bis(2-nitro-4-trifluoromethyl-benzenesulfonyl)imide sodium salt monohydrate, Na(C6H3NO2CF3SO2)2N(H2O)
  34. Crystal structure of tricarbonyl{5-ethoxycarbonyl-([2.2]metacyclophane)}-anti-chromium, (C19H20O2)Cr(CO)3
  35. Crystal structure of tricarbonyl{5-ethoxycarbonyl-{dispiro-[1,3-dithiane-2,1′-[2.2]metacyclophane-10′,2″[1,3]dithiane]-(B)}}-anti-chromium, (C25H28O2S4)Cr(CO)3
  36. Redetermination of the crystal structure of bis(N-2-hydroxyethylsalicylideneaminato)copper(II), Cu(C9H10NO2)2
  37. Redetermination of the crystal structure of bis(N-phenylsalicylideneaminato)copper(II), Cu(C13H10NO)2
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