About: 2-Methyl-2-(3-nitrophenyl)-1,3-dithiane     Goto   Sponge   NotDistinct   Permalink

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  • The title compound, C11H13NO2S2, contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252 (15) Å, = 6.71 (13) and φ = 50.4 (11)°. The benzene ring occupies an axial position at the dithiane ring. The nitro group is almost coplanar with the benzene ring [O - N - C - C = -3.2 (2)°]. The molecule has an L-shape with a C - C - C - C torsion angle of -74.15 (17)°for the atoms of the methyl group and the dithiane-benzene linkage. The crystal packing is stabilized only via weak non-specific van der Waals interactions.
  • The title compound, C11H13NO2S2, contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252 (15) Å, = 6.71 (13) and φ = 50.4 (11)°. The benzene ring occupies an axial position at the dithiane ring. The nitro group is almost coplanar with the benzene ring [O - N - C - C = -3.2 (2)°]. The molecule has an L-shape with a C - C - C - C torsion angle of -74.15 (17)°for the atoms of the methyl group and the dithiane-benzene linkage. The crystal packing is stabilized only via weak non-specific van der Waals interactions. (en)
Title
  • 2-Methyl-2-(3-nitrophenyl)-1,3-dithiane
  • 2-Methyl-2-(3-nitrophenyl)-1,3-dithiane (en)
skos:prefLabel
  • 2-Methyl-2-(3-nitrophenyl)-1,3-dithiane
  • 2-Methyl-2-(3-nitrophenyl)-1,3-dithiane (en)
skos:notation
  • RIV/70883521:28110/12:43868133!RIV13-MSM-28110___
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  • 6
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  • 183333
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  • RIV/70883521:28110/12:43868133
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  • data-to-parameter ratio = 14.4; wR factor = 0.074; R factor = 0.027; mean _(C–C) = 0.002 Å; T = 120 K; single-crystal X-ray study (en)
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  • [A95E597E286F]
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  • Acta Crystallographica Section E - Structure Reports Online
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  • 68
http://linked.open...iv/tvurceVysledku
  • Nečas, Marek
  • Vícha, Robert
  • Mirošová, Pavla
issn
  • 1600-5368
number of pages
http://bibframe.org/vocab/doi
  • 10.1107/S1600536812022283
http://localhost/t...ganizacniJednotka
  • 28110
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