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Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 212 Issue 5

Abstract

The crystal structures of two borines were solved by direct methods and refined by full-matrix least-squares procedure. 6-methyl-4-phenyl-1,3,2-(2H)-2,2-difluorodioxaborine, C10H9BF2O2 (compound 1): orthorhombic, space group Pnma, a = 12.534(2) Å, b = 7.109(2) Å, c = 10.933(2) Å, V = 974.2(3) Å3, Z = 4 and d = 1.43Mg m−3, R = 0.039 (Rw = 0.036) for 88 parameters and 752 observations with I > 3σ(I). 4-(p-anisyl)-6-methyl-1,3,2-(2H)-2,2-difluorodioxaborine, C11H11BF2O3 (compound 2): monoclinic, space group P21/m, a = 6.8889(8) Å, b = 7.071(1) Å, c = 11.695(2) Å, β = 98.55(1)°, V = 563.3(9) Å3, Z = 2 and d = 1.42Mg m−3, R = 0.039 (Rw = 0.036) for 100 parameters and 1003 observations with I > 3σ(I).

The crystal structure analysis of compound 1 and 2 reveals that the difference in their absorption and fluorescence spectra, by going from solution to the solid state, reflects their packing in the crystal lattice which enables a charge transfer process to be developed between two planar molecules at ca. 3.5 Å from each other in two different but parallel planes.

Published Online: 2010-7-28
Published in Print: 1997-5-1

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

Articles in the same Issue

  1. Surface X-ray diffraction on clean and Cs-covered Ag(001)
  2. On the structure of mathematical expressions and crystals
  3. On new settings in some centrosymmetric space groups: an apparently paradoxical situation
  4. Towards the structure determination of proteins from the near edge anomalous dispersion of sulphur: a comparison of first results from trypsin with the known structure
  5. The crystal structures of the cryptates Ag(C222)X, X = ClO4−, NO3−, ClO3−, BrO3−, IO4−, ReO4−, BF4−, PF6−, AsF6−, and Na(C222)X, X = ClO4−, IO4−, ReO4−
  6. Crystal structure of three diaza-crowns-18
  7. The crystal structure and disorder in tetrapropylammonium tetrafluoroborate, (n-C3H7)4NBF4
  8. Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride
  9. Structure of 2,10 dichloro 6-(2,3 dimethylphenoxy) dibenzo [d,g] [1,3,6,2]dioxathiaphosphocin 6-sulphide
  10. Crystal structure of bis(triisopropylphosphin)dibromonickel(II), [Ni(Pi-(C3H7)3)2Br2]
  11. Crystal structure of bromo(tricarbonyl)(cyclopentadienyl) molybdenum(II), (C5H5)Mo(CO)3Br
  12. Crystal structure of metaclopromide tetrathiocyanatocobaltate, C28H44O4N6Cl2 · [Co(NCS)4]
  13. Crystal structure of 4-cyanophenyl 4-heptylbenzoate, H3C(CH2)6(C6H4)O(CO)(C6H4)CN
  14. Crystal structure of N-p-methoxybenzylidene p-phenylazoaniline, HCO(C6H4)CN(C6H4)NN(C6H5)
  15. Crystal structure of 2-chlorophenol morpholino complex, (C6H4OCl)2(C4H10ON)
  16. Crystal structure of lignocaine tetrabromozincate, (C14H22ON2)4(ZnBr4)2
  17. Crystal structure of 1:2;7:8-dibenzo-3,6,15,18-tetraaza-tricyclo[13.3.0.02,6] octadeca-1(18),2,4,10,16-pentaene-8,12-diyne, C22H14N4
  18. Crystal structure of 11:12-benzo-13:14-naphtho-1,10-diazabicyclo[8.2.2] tetradeca-5,11,13-triene-3,7-diyne dichloromethane solvate, C22H14N4 · CH2Cl2
  19. Crystal structure of 5-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-tri-tert-butyl-2-oxo-bicyclo[4.1.0]hept-3-ene, C34H54O2
  20. Biokompatible Werkstoffe und Bauweisen. Implantate für Medizin und Umwelt
  21. Grundlagen der Festkörperphysik
  22. Crystallography
  23. Quasicrystals and Geometry
  24. Tables of Physical and Chemical Constants
  25. Praktische Physik
https://doi.org/10.1524/zkri.1997.212.5.372

Articles in the same Issue

  1. Surface X-ray diffraction on clean and Cs-covered Ag(001)
  2. On the structure of mathematical expressions and crystals
  3. On new settings in some centrosymmetric space groups: an apparently paradoxical situation
  4. Towards the structure determination of proteins from the near edge anomalous dispersion of sulphur: a comparison of first results from trypsin with the known structure
  5. The crystal structures of the cryptates Ag(C222)X, X = ClO4−, NO3−, ClO3−, BrO3−, IO4−, ReO4−, BF4−, PF6−, AsF6−, and Na(C222)X, X = ClO4−, IO4−, ReO4−
  6. Crystal structure of three diaza-crowns-18
  7. The crystal structure and disorder in tetrapropylammonium tetrafluoroborate, (n-C3H7)4NBF4
  8. Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride
  9. Structure of 2,10 dichloro 6-(2,3 dimethylphenoxy) dibenzo [d,g] [1,3,6,2]dioxathiaphosphocin 6-sulphide
  10. Crystal structure of bis(triisopropylphosphin)dibromonickel(II), [Ni(Pi-(C3H7)3)2Br2]
  11. Crystal structure of bromo(tricarbonyl)(cyclopentadienyl) molybdenum(II), (C5H5)Mo(CO)3Br
  12. Crystal structure of metaclopromide tetrathiocyanatocobaltate, C28H44O4N6Cl2 · [Co(NCS)4]
  13. Crystal structure of 4-cyanophenyl 4-heptylbenzoate, H3C(CH2)6(C6H4)O(CO)(C6H4)CN
  14. Crystal structure of N-p-methoxybenzylidene p-phenylazoaniline, HCO(C6H4)CN(C6H4)NN(C6H5)
  15. Crystal structure of 2-chlorophenol morpholino complex, (C6H4OCl)2(C4H10ON)
  16. Crystal structure of lignocaine tetrabromozincate, (C14H22ON2)4(ZnBr4)2
  17. Crystal structure of 1:2;7:8-dibenzo-3,6,15,18-tetraaza-tricyclo[13.3.0.02,6] octadeca-1(18),2,4,10,16-pentaene-8,12-diyne, C22H14N4
  18. Crystal structure of 11:12-benzo-13:14-naphtho-1,10-diazabicyclo[8.2.2] tetradeca-5,11,13-triene-3,7-diyne dichloromethane solvate, C22H14N4 · CH2Cl2
  19. Crystal structure of 5-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-tri-tert-butyl-2-oxo-bicyclo[4.1.0]hept-3-ene, C34H54O2
  20. Biokompatible Werkstoffe und Bauweisen. Implantate für Medizin und Umwelt
  21. Grundlagen der Festkörperphysik
  22. Crystallography
  23. Quasicrystals and Geometry
  24. Tables of Physical and Chemical Constants
  25. Praktische Physik
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