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Crystal Structure of 3, 7-Dihydroxy1-1, 5-diazacyclooctane Dihydrobromide C_6H_(14)N_2O_2. 2HBr. EtOH
作者姓名:LIU Yong  XUE Guo-Ping  WU Cheng-Tai
作者单位:LIU Yong; XUE Guo-Ping; WU Cheng-Tai(Department of Chemistry,Wuhan Universiry,Wuhan,430072)LUO Bao-Sheng; CHEN Liao-Rong(Centre of Analysis and Testing,Wuhan University,Wuhan,430072)
摘    要:1I7NTRODUCT1ONAsequenceofnovelhydroxylmesocyclicdiaminesLl-3Jweresynthesizedinourlaboratoryandemployedtobindtransitionmetalions.Wehavepreviouslyreported']thatoneofthesemesocycles,3-hydroxyL1,5-diazacycloheptane,adoptstranschair-chairconformationinthecomplexes,whereasitlookslikeacrownintheabsenceofguests.Here,wereportthemolecularstructureofthetitlemesocyclicdiaminewhichbearsdoublehydroxylgroups.2EXPERIMENTALThetitlecompound'Jwasheatedtobedissolvedinalittlewater,followedbyad-ditiono…


Crystal Structure of 3, 7-Dihydroxy1-1, 5-diazacyclooctane Dihydrobromide C_6H_(14)N_2O_2. 2HBr. EtOH
LIU Yong, XUE Guo-Ping, WU Cheng-Tai.Crystal Structure of 3, 7-Dihydroxy1-1, 5-diazacyclooctane Dihydrobromide C_6H_(14)N_2O_2. 2HBr. EtOH[J].Chinese Journal of Structural Chemistry,1997(5).
Authors:LIU Yong  XUE Guo-Ping  WU Cheng-Tai
Abstract:Crystal structure of the title mesocyclic diamine has been determinedby X-ray diffraction analysis. The crystal belongs to triclinic system, space group P1,with crystallographic parameters C6H14N2O2. 2HBr. EtOH, Mr= 354. 08, a= 7. 813(4), b=8. 109(5), c=11. 153(5) ,a=82. 50(7),β=81. 60(4),γ=75. 53(8)°, V= 673. 5 (7) , Z= 2, Dc= 1. 519g. cm-3,μ= 59. 364 cm-1 (MoKa), F(000) =356, R=0. 082,R.= 0. 095 for 2550 observed reflections with I≥3σ(I). The determination suggests that the molecular ring is folded to make the conformation look like acrown.
Keywords:crystal structure  mesocyclic diamine  diazacyclooctane
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