A Neutron Structural Study of Semicarbazide Hydrochloride

A Neutron Structural Study of Semicarbazide Hydrochloride

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1、668[Ni(C16H36N4)](C104)2Table3.Torsionangles(o)insomecentrosymmetricCambridgeStructuralDatabase(1986)files.ThereisNinmeso-Me6[14]aneN4cationsandinL.2H20generalagreementbetweenthecorrespondinganglesinthisseriesofcompounds,irrespectiveofwhethertheTorsionangles(1)(2)(3)(4)(5)(6)(

2、7)N(I)-C(2)-C(3)-N(4)52.1(1751.956.653.551.957.466.3compoundislow-spinorhigh-spin.TheagreementC(2)-C(3)-N(4)-C(5)-169.9(17-175.6-169.2175.2179.0-170.1-171.3betweenthetitlecompoundandthemetal-freedihy-C(3)-N(4)-C(5)-C(6)-167.6(1)179.6-175.3167.5172.4178.9-176.0N(4)-C(5)-C(6)-C(

3、7)-71.1(1)-68.3-81.1-57.7-64.0-78.1-72.5drateisfairlyremarkable,consideringthatthelatterisC(5)-C(6)-C(7)-N(P)61.7(1)67.564.970.470.368.568.5notconstrainedbyacentralcoordinatedmetalion.C(6)-C(7)-N(P)-C(2*)-169.6(I)175.5-174.1167.5168.8-178.1-164.2C(7)-N(P)-C(2*)-C(3*)179.9(1)17

4、5.3-178.1170.3172.4177.1176.1SuchaconformationisprobablyadoptedtofacilitateReferences:(1)thiswork;(2),(3)low-spinandhigh-spinnickelchloridetheoperationoftheextensivehydrogenbondingpresentcomplexes(Ito&Toriumi,1981);(4),(5)low-spinandhigh-spinnickelinthesetwocompounds.bromideco

5、mplexes(Ito,Toriumi&Ito,1981);(6)high-spinnickelfluoridecomplex(Toriumi&Ito,1981);(7)L.2H20(Gluzifiski,Krajewski&Urbaficzyk-Lipkowska,1980).ReferencesCambridgeStructuralDatabase(1986).Univ.ChemicalHydrogenbondingplaysanimportantroleinalltheLaboratory,Cambridge,England.CURTIS,N

6、.F.(1964).J.Chem.Soc.pp.2644-2650.knownstructures,includingthetitlecompound.TheCURTIS,N.F.,SWANN,D.A.&WATERS,T.N.(1973).J.Chem.twoperchlorateionspositionthemselvesaboveandSoc.DaltonTrans.pp.1408-1413.belowtheplaneofthemacrocycleinsuchawaythatGLUZII~ISKI,P.,KRAJEWSKI,J.W.&URBAI

7、~CZYK-LIPKOWSKA,Z.twooftheoxygenatomsarehydrogen-bondedtothe(1980).ActaCryst.B36,1695-1698.HAWKINSON,S.W.&FLEISCHER,E.B.(1969).Inorg.Chem.11,imineHatoms.Dimensionsofthesebondsare:2402-2410.O(13)...H(41)2.18(1),O(13)...N(4)3.09(1)A,InternationalTablesforX-rayCo,stallography(197

8、4).Vol.IV.O(13)...H(41)--N(4)161(1)°,O(16)...H(11~)Birmingham

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