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Crystal and molecular structure of O-ethyl-N-phenylthiocarbamate

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 209 Issue 1

Abstract

The crystal structure of the title compound O-ethyl-N-phenylthiocarbamate, [EtOC(=S)N(H)Ph], has been determined at room temperature. The colorless crystals are triclinic, space group P[unk] with unit cell dimensions a = 11.972(4), b = 12.114(1), c = 9.607(2) Å, α = 95.52(1), β = 94,80(3), γ = 89.34(2)°, Z = 6 and Dx = 1.307 Mg m−3. The structure was solved by direct-methods and refined by a full-matrix least-squares procedure to final R = 0.054 using 3499 reflections. There are three molecules in the crystallographic asymmetric unit which differ by minor variations in the orientations of the terminal ethyl and phenyl groups. The –OC(=S)N(H) chromophore is essentially planar in each molecule and the average C=S, C–O and C–N bond distances of 1.650(3), 1.302(4) and 1.323(4) Å, respectively indicate substantial delocalization of π-electron density over this moiety.

Published Online: 2010-7-28
Published in Print: 1994-1-1

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

Articles in the same Issue

  1. On the polar habit of crystals of potassium tetrathionate, K2S4O6
  2. Investigation by the use of profile refinement of neutron powder diffraction data of the geometry of the [Si2O7]6− ions in the high temperature phases of rare earth disilicates prepared from the melt in crucible-free synthesis
  3. Crystal growth, crystal structure, optical, electro-optic and electrostrictive properties of the orthorhombic tartrato-antimonate(III) nitrate KZn[Sb2{(+)-C4H2O6}2]NO3 · 5 H2O (“KZnSbTN”)
  4. Zur Kristallchemie der Wasserstoff–Sauerstoff-Bindungen
  5. Description of a 3-periodic minimal surface family with trigonal symmetry
  6. Crystal structure, thermal expansion and dielectric properties of monoclinic ethylenediammonium bis(hydrogensuccinate), H3N(CH2)2NH3(HC4H4O4)2
  7. Low temperature polymorphs of the compound In3SnI5
  8. Analysis of the (Na1/3,, (H2O)2/3)12[NaFe33+O(SO4)6(H2O)3] compound: crystal structure, solid-state transformation and its relationship to some analogues
  9. The structure of the (Al, Cu)13Co4 phase with different Cu content
  10. Crystal structure and spectra of (2,9-dimethyl-1,10-phenanthroline) 2,2,6,6-tetramethyl-3,5-heptanedionato copper(II) nitrate
  11. Crystal structure of dafone and bis[dafone]tetrachlorocobaltate(II) dihydrate
  12. Structures of two modifications of 1-methylthio-2-methylsulfonylethane at 87 K
  13. Crystal and molecular structure of O-ethyl-N-phenylthiocarbamate
  14. Diphosphatriptycenium cations: structures of the triflate salts of P-methyl-diphosphatriptycenium and P,P′-dimethyl-diphosphatriptycenium
  15. Magnetooptical effects at the low temperature phase transition of Cr3+-doped potassium alum
  16. Crystal structure of molybdenum tetrathallium tritelluride, MOTl4Te3
  17. Crystal structure of aluminum dicalcium pentasodium tetrakis(phosphate), Na5Ca2Al(PO4)4
  18. Crystal structure of [bis-1,2-(dimethylphosphino)ethane]tetracarbonylchromium(0), (C6H16P2)Cr(CO)4
  19. Crystal structure of triphenyl(methylseleno)phosphonium perchlorate, C19H18ClO4PSe
  20. Crystal structure of triphenylphosphine selenide (triclinic), C18H15PSe
  21. Crystal structure of diphenylphosphinoselenoic acid anhydride, C24H20OP2Se2
  22. Crystal structure of 1,1′-bis(naphthyl)diselenide:naphthalene (1:1), C30H22Se2
  23. Crystal structure of dibromobis(cyclopentadienyl)titanium(IV), C10H10Br2Ti
  24. Crystal structure of μ-phenylthiolatobis(triphenylphosphinegold(I)) trifluoromethanesulphonate dichloromethane solvate, C44H37Au2Cl2F3O3P2S2
  25. Crystal structure of bis(triphenylchlorophosphonium) hexachlorostannate, ((C6H5)3PCl)2(SnCl6)
  26. Crystal structure of triphenylphosphine oxide-antimony pentachloride/dichloromethane (2/1), SbCl5(OP(C6H5)3)(CH2Cl2)0.5
  27. Crystal structure of 1,4,7,10,13,16-hexaoxacyclooctadecane-oxonium-hexachloroantimonate(V) (1/1), ((C12H24O6)(OH3))(SbCl6)
  28. Crystal structure of 6-((4-trifluoromethyl)phenyl)-4-dimethylamino-3,4-dihydro-2H-thiopyran-3-carboxanilide, C21H21N2OF3S
  29. Crystal structure of bismuth nonathallium hexatelluride, BiTl9Te6
  30. Crystal structure of antimony nonathallium hexatelluride, SbTl9Te6
  31. Crystal structure of copper tetrathallium tritelluride, CuTl4Te3
https://doi.org/10.1524/zkri.1994.209.1.64

Articles in the same Issue

  1. On the polar habit of crystals of potassium tetrathionate, K2S4O6
  2. Investigation by the use of profile refinement of neutron powder diffraction data of the geometry of the [Si2O7]6− ions in the high temperature phases of rare earth disilicates prepared from the melt in crucible-free synthesis
  3. Crystal growth, crystal structure, optical, electro-optic and electrostrictive properties of the orthorhombic tartrato-antimonate(III) nitrate KZn[Sb2{(+)-C4H2O6}2]NO3 · 5 H2O (“KZnSbTN”)
  4. Zur Kristallchemie der Wasserstoff–Sauerstoff-Bindungen
  5. Description of a 3-periodic minimal surface family with trigonal symmetry
  6. Crystal structure, thermal expansion and dielectric properties of monoclinic ethylenediammonium bis(hydrogensuccinate), H3N(CH2)2NH3(HC4H4O4)2
  7. Low temperature polymorphs of the compound In3SnI5
  8. Analysis of the (Na1/3,, (H2O)2/3)12[NaFe33+O(SO4)6(H2O)3] compound: crystal structure, solid-state transformation and its relationship to some analogues
  9. The structure of the (Al, Cu)13Co4 phase with different Cu content
  10. Crystal structure and spectra of (2,9-dimethyl-1,10-phenanthroline) 2,2,6,6-tetramethyl-3,5-heptanedionato copper(II) nitrate
  11. Crystal structure of dafone and bis[dafone]tetrachlorocobaltate(II) dihydrate
  12. Structures of two modifications of 1-methylthio-2-methylsulfonylethane at 87 K
  13. Crystal and molecular structure of O-ethyl-N-phenylthiocarbamate
  14. Diphosphatriptycenium cations: structures of the triflate salts of P-methyl-diphosphatriptycenium and P,P′-dimethyl-diphosphatriptycenium
  15. Magnetooptical effects at the low temperature phase transition of Cr3+-doped potassium alum
  16. Crystal structure of molybdenum tetrathallium tritelluride, MOTl4Te3
  17. Crystal structure of aluminum dicalcium pentasodium tetrakis(phosphate), Na5Ca2Al(PO4)4
  18. Crystal structure of [bis-1,2-(dimethylphosphino)ethane]tetracarbonylchromium(0), (C6H16P2)Cr(CO)4
  19. Crystal structure of triphenyl(methylseleno)phosphonium perchlorate, C19H18ClO4PSe
  20. Crystal structure of triphenylphosphine selenide (triclinic), C18H15PSe
  21. Crystal structure of diphenylphosphinoselenoic acid anhydride, C24H20OP2Se2
  22. Crystal structure of 1,1′-bis(naphthyl)diselenide:naphthalene (1:1), C30H22Se2
  23. Crystal structure of dibromobis(cyclopentadienyl)titanium(IV), C10H10Br2Ti
  24. Crystal structure of μ-phenylthiolatobis(triphenylphosphinegold(I)) trifluoromethanesulphonate dichloromethane solvate, C44H37Au2Cl2F3O3P2S2
  25. Crystal structure of bis(triphenylchlorophosphonium) hexachlorostannate, ((C6H5)3PCl)2(SnCl6)
  26. Crystal structure of triphenylphosphine oxide-antimony pentachloride/dichloromethane (2/1), SbCl5(OP(C6H5)3)(CH2Cl2)0.5
  27. Crystal structure of 1,4,7,10,13,16-hexaoxacyclooctadecane-oxonium-hexachloroantimonate(V) (1/1), ((C12H24O6)(OH3))(SbCl6)
  28. Crystal structure of 6-((4-trifluoromethyl)phenyl)-4-dimethylamino-3,4-dihydro-2H-thiopyran-3-carboxanilide, C21H21N2OF3S
  29. Crystal structure of bismuth nonathallium hexatelluride, BiTl9Te6
  30. Crystal structure of antimony nonathallium hexatelluride, SbTl9Te6
  31. Crystal structure of copper tetrathallium tritelluride, CuTl4Te3
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