Structures of two isomeric phenylethanolamine analogs containing the benzobicyclo[3.2.1]octane skeleton
dc.contributor.author | Grunewald, Gary L. | |
dc.contributor.author | Ye, Qi-Zhuang | |
dc.contributor.author | Takusagawa, Fusao | |
dc.date.accessioned | 2015-05-28T18:10:16Z | |
dc.date.available | 2015-05-28T18:10:16Z | |
dc.date.issued | 1987 | |
dc.identifier.citation | Grunewald, G. L., Q. Ye, and F. Takusagawa. "Structures of Two Isomeric Phenylethanolamine Analogs Containing the Benzobicyclo[3.2.1]octane Skeleton." Acta Crystallographica Section C Crystal Structure Communications Acta Cryst Sect C Acta Crystallogr Sect C Cryst Struct Commun Acta Crystallogr C Cryst Struct Commun Acta Crystallogr Sect C Acta Crystallogr C Acta Cryst C 43.12 (1987): 2418-420. http://dx.doi.org/10.1107/S0108270187087560. | en_US |
dc.identifier.uri | http://hdl.handle.net/1808/17882 | |
dc.description | This is the published version. Copyright 1987 International Union of Crystallography. | en_US |
dc.description.abstract | e/ido-8-Amino-6,7,8,9-tetrahydro-5,8- methano-5//-benzocyclohepten-9-ol hydrochloride, C1 2H1 6N0+.C1- Mr = 225-72, tetragonal, IAja, a = b = 24-641(3), c= 7-709 (1) A, F = 4681 (1) A3, Z = 16, D x = 1-281 Mgm~3 , A(MoKa) = 0-71069 A, /u = 0-3032 mm"1 , F(000) = 1920, T=297K. R = 0-0324 for 1543 independent reflections collected. exo-8-Amino~6,7,8,9-tetrahydro-5,8-methano-5Hbenzocyclohepten- 9-ol, C1 2H1 3NO, Mr= 189-26, monoclinic, Pljc, a = 13-863 (3), 6 = 6-910(2), c = 13-437 (3) A, V= 1018-2 (5) A3, Z = 4, Dx = 1-235 Mg m~3, A(Mo Ka) = 0-71069 A, ju = 0-08456 mm"1 , ,F(000) = 408, T= 297 K. R = 0-0378 for 1340 independent reflections collected. The torsion angles N-C(8)-C(9)-C(9a) of the two isomers are 0108-2701/87/122418-03501.50 174-0(2) and 173-4 (1)°, respectively, which are very close to those observed for epinephrine (172°) and norepinephrine (179°) with the side chain in a fully extended conformation. The cyclohexene moiety has a half-chair conformation as found in tetralols. | en_US |
dc.publisher | International Union of Crystallography | en_US |
dc.title | Structures of two isomeric phenylethanolamine analogs containing the benzobicyclo[3.2.1]octane skeleton | en_US |
dc.type | Article | |
kusw.kuauthor | Grunewald, Gary L | |
kusw.kuauthor | Takusagawa, Fusao | |
kusw.kudepartment | Medicinal Chemistry | en_US |
dc.identifier.doi | 10.1107/S0108270187087560 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess |
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