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rdf:type | |
lifeskim:mentions | |
pubmed:dateCreated |
1991-9-11
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pubmed:abstractText |
(+/-)-exo-1,4-Epoxy-2-formamido-1,2,3,4-tetrahydro-8- trifluoromethylnaphthalene (1), C12H10F3NO2, Mr = 257.21, Pccn, a = 8.895 (1), b = 19.968 (5), c = 12.656 (3) A, V = 2247.9 (8) A3, Z = 8, Dx = 1.520 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 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(1)-C(8a) is 167.4 (2) degrees. (+/-)-exo-1,4-Epoxy-2-formamido-1,2,3,4-tetrahydro-6- trifluoromethylnaphthalene, (2), C12H10F3NO2, Mr = 257.21, P2(1)2(1)2(1), a = 8.52 (2), b = 26.15 (2), c = 5.06 (5) A, V = 1127 (11) A3, Z = 4, Dx = 1.516 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 1.29 cm-1, F(000) = 528, T = 297 K, R = 0.108 for 932 independent reflections collected. The torsion angle N(10)-C(2)-C(1)-C(8a) is 172.5 (6) degrees; the formamido group in both (1) and (2) is exo. X-ray studies on (1) suggest a hydrogen bond between N(10) and O(12) and similarly for (2).
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pubmed:grant | |
pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Apr
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pubmed:issn |
0108-2701
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:day |
15
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pubmed:volume |
47 ( Pt 4)
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
771-5
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pubmed:dateRevised |
2008-11-21
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pubmed:meshHeading |
pubmed-meshheading:1863422-Chemistry, Physical,
pubmed-meshheading:1863422-Crystallization,
pubmed-meshheading:1863422-Epoxy Compounds,
pubmed-meshheading:1863422-Molecular Structure,
pubmed-meshheading:1863422-Physicochemical Phenomena,
pubmed-meshheading:1863422-Tetrahydronaphthalenes,
pubmed-meshheading:1863422-X-Ray Diffraction
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pubmed:year |
1991
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pubmed:articleTitle |
Structures of two conformationally defined phenylethanolamines: exo-1,4-epoxy-2-formamido-1,2,3,4-tetrahydro-8-trifluoromethylnaphthale ne and exo-1,4-epoxy-2-formamido-1,2,3,4-tetrahydro-6-trifluoromethylnaphthale ne.
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pubmed:affiliation |
Department of Medicinal Chemistry, University of Kansas, Lawrence 66045.
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pubmed:publicationType |
Journal Article,
Research Support, U.S. Gov't, P.H.S.
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