(5S, 11aS)-5-Hydroperoxy-1,5,11,11atetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one

被引：1
|
作者：
Vrabel, Viktor [1 ]
Svorc, Lubomir [1 ]
Marchalin, Stefan [2 ]
Safar, Peter [2 ]
机构：
[1] Slovak Tech Univ, Fac Chem & Food Technol, Inst Analyt Chem, Radlinskeho 9, SK-81237 Bratislava, Slovakia
[2] Slovak Tech Univ, Fac Chem & Food Technol, Inst Organ Chem Catalysis & Petrochem, SK-81237 Bratislava, Slovakia
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷
关键词：
data-to-parameter ratio = 14.5; mean ω(C-C) = 0.002 Å; R factor = 0.027; single-crystal X-ray study; T = 295 K; wR factor = 0.068;
D O I：
10.1107/S1600536812045394
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The absolute configuration of the title compound, C14H13NO3S, was assigned from the synthesis and confirmed by the structure determination. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviation from the mean plane of the ring being 0.661 (2) angstrom for the bridgehead C atom. The benzothiene ring attached to the indolizine ring system is planar to within 0.008 (2) angstrom. In the crystal, molecules form chains parallel to the b axis via O-H center dot center dot center dot O hydrogen bonds.
引用
收藏
页码：O3327 / +
页数：8
相关论文
共 18 条
  • [1] Crystal, molecular and electronic structure of (5S, 11R, 11aS)-11-hydroxy-5-methyl-1,2,3,4,5,6,11,11a-octahydropyrido[1,2-b]isoquinolin-5-ium iodide
    Sivy, Julius
    Safar, Peter
    Zuziova, Jozefina
    ACTA CHIMICA SLOVACA, 2018, 11 (02): : 94 - 98
  • [2] Crystal and molecular structure of (5 S,8aS,9 S)-9-hydroxy-5-methyl-4,6,7,8,8a,9-hexahydrothieno-[3,2-f] indolizin-5-ium iodide
    Viktor, Vrabel
    Julius, Sivy
    Peter, Safar
    Stefan, Marchalin
    ACTA CHIMICA SLOVACA, 2014, 7 (01): : 34 - 37
  • [3] (5S)-3-Chloro-4-diallylamino-5-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5H)-one
    Huang, Dong-Na
    Tan, Yue-He
    Fu, Jian-Hua
    Wang, Zhao-Yang
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O2050 - U639
  • [4] 5,7-Dibromo-3-trifluoromethyl-3,4-dihydroacridin-1(2H)-one
    Okoro, Cosmas O.
    Siddiquee, Tasneem
    Fadeyi, Olugbeminiyi O.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O2052 - U659
  • [5] 2,6-Bis[(S)-1-phenylethyl]-1H,5H-pyrrolo[3,4-f] isoindole-1,3,5,7(2H, 6H)-tetrone
    Abdel-Aziz, Alaa A. -M.
    El-Azab, Adel S.
    Alanazi, Amer M.
    Ng, Seik Weng
    Tiekink, Edward R. T.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O907 - U3544
  • [6] 5-[(Z)-2,3-Dimethoxybenzylidene]-1,2,4-triazolo[3,2-b][1,3]thiazol-6(5H)-one
    Guo, Lu
    Lin, Gao-Tong
    Wang, Jia
    Ni, Li
    Ge, Ren-Shan
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O3139 - +
  • [7] (2RS,5 ' RS)-3 ',4 '-Bis(4-chlorophenyl)-3,4-dihydrospiro[acridine- 2,5 '(40H)-[1,2]oxazol]-1(2H)-one
    Narayanan, Ponmudisettu
    Maheswari, Shanmugavel Uma
    Sethusankar, Krishnan
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O3289 - +
  • [8] (5S,6R)-4,5-Dimethyl-6-phenyl-3-trimethyl-acetyl-2H-1,3,4-oxadiazinan-2-one
    Ferrence, GM
    Esken, JM
    Blackburn, JR
    Hitchcock, SR
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2003, 59 : O212 - O214
  • [9] (3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one
    Drzymala, Sarah
    Kraus, Werner
    Emmerling, Franziska
    Koch, Matthias
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O3071 - +
  • [10] 4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2phenyl-1H-pyrazol-3(2H)-one ethanol monosolvate
    Idemudia, Omoruyi G.
    Sadimenko, Alexander P.
    Hosten, Eric C.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O3380 - +
12