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Structures of two conformationally defined phenylethanolamines: exo-1,4-epoxy-2-formamido-1,2,3,4-tetrahydro-8-trifluoromethylnaphthalene and exo-1,4-epoxy-2-formamido-1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene
Grunewald, Gary L. Palanki, Moorthy S. S. Takusagawa, Fusao
Grunewald, Gary L.
Palanki, Moorthy S. S.
Takusagawa, Fusao
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Abstract
(± )-exo-1,4-Epoxy-2-formamido-1,2,3,4-8-trifluoromethylnaphthalene (1), C1 2H1 0F3NO2 , Mr = 257-21, Pccn, a = 8-895 (1), b =19-968 (5), c = 12-656 (3) A, F = 2247-9 (8) A3 , Z =8, Dx= 1-520 g e m " 3 , A(Mo Ka) = 0-71069 A, /x =1-49 cm"1 , F(000) = 1056, T=297 K, R = 0 0466 for 1481 independent reflections collected. The torsion angle for N(10)—C(2)—C(l)—C(8a) is 167-4(2)°. (± )-exo-\, 4-Epoxy-2-formamido-l ,2,3,4-tetrahydro-6-trifluoromethylnaphthalene, (2), C1 2H1 0F3NO2, Mr = 257-21, P2,2x2u a= 8-52(2), 6 =26-15(2), c =5-06 (5) A, V= 1127(11) A3 , Z= 4, Dx =1-516 g cm"3 , A (Mo Ka) = 0-71069 A, /x =129 cm-1 , F(000) = 528, T=297K, R =0-108 for 932 independent reflections collected. The torsion angle N(10)—C(2)—C(l)—C(8a) is 172-5(6)°; the formamido group in both (1) and (2) is exo. X-ray studies on (1) suggest a hydrogen bond between N(10) and 0(12) and similarly for (2).
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This is the published version. Copyright 1991 International Union of Crystallography.
Date
1991
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International Union of Crystallography
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Grunewald, G. L., M. S. S. Palanki, and F. Takusagawa. "Structures of Two Conformationally Defined Phenylethanolamines: Exo-1,4-epoxy-2-formamido-1,2,3,4-tetrahydro-8-trifluoromethylnaphthalene and Exo-1,4-epoxy-2-formamido-1,2,3,4-tetrahydro-6-trifluoromethylnaphthalene." Acta Crystallographica Section C Crystal Structure Communications 47.4 (1991): 771-75. http://dx.doi.org/10.1107/S0108270190007284.