Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa#173;aza#173;cyclo#173;tetra#173;decane-#954;4N3,N6,N10,N13)bis#173;(isonicotinato-#954;O)copper(II) from synchrotron data

Shin J.W.; Kim D.-W.; Kim J.H.Moon D.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa#173;aza#173;cyclo#173;tetra#173;decane-#954;4N3,N6,N10,N13)bis#173;(isonicotinato-#954;O)copper(II) from synchrotron data

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Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa#173;aza#173;cyclo#173;tetra#173;decane-#954;4N3,N6,N10,N13)bis#173;(isonicotinato-#954;O)copper(II) from synchrotron data

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The title compound, Cu(C6H4NO2)2(C16H38N6) has been synthesized and characterized by structure analysis based on synchrotron data and by FT#8211;IR spectroscopy. The asymmetric unit consists of half of the CuII complex, the other half being completed by inversion symmetry. The CuII ion has a tetra#173;gonally distorted octa#173;hedral coordination sphere with four secondary N atoms of the aza#173;macrocyclic ligand in the equatorial plane Cu#8212;Neq = 2.018#8197;(12)#8197;#197; and two O atoms of the isonicotinate anions at the axial positions Cu#8212;Oax = 2.4100#8197;(11)#8197;#197;. Intra#173;molecular N#8212;H#8943;O hydrogen bonds between one of the secondary amine N#8212;H groups of the aza#173;macrocyclic ligand and the non-coordinating O atom of the isonicotinate ions stabilize the mol#173;ecular structure. Inter#173;molecular N#8212;H#8943;N hydrogen bonds between the other macrocyclic N#8212;H group and the pyridine N atom of an adjacent isonicotinate anion as well as #960;#8211;#960; inter#173;actions centroid-to-centroid distance 3.711#8197;(2)#8197;#197; lead to the formation of rods parallel to 001.

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第2期|203-205|共3页
作者
Shin J.W.; Kim D.-W.; Kim J.H.Moon D.;
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Beamline Department, Pohang Accelerator Laboratory, 80 Jigokro-127-beongil, Nam-Gu Pohang, Gyeongbuk 790-784, South Korea;

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CRYSTAL STRUCTURE; AZAMACROCYCLIC LIGAND; JAHN-TELLER DISTORTION; ISONICOTINIC ACID; OFFSET PI-PI INTERACTION; HYDROGEN BONDS; SYNCHROTRON DATA;

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1. Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa-aza-cyclo-tetra-decane-κ4N3,N6,N10,N13)bis-(isonicotinato-κO)nickel(II) determined from synchrotron data [J] . Shin J.W., Kim D.-W., Moon D. Acta Crystallographica Section E: Crystallographic Communications . 2016,第2期

机译：反式-（1,8-二丁基-1,3,6,8,10,13-六氮杂-环-四癸烷-κ4N3，N6，N10，N13）双-（异烟酰胺基-κO）镍的晶体结构（II）根据同步加速器数据确定
2. Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(thiocyanato-κN)nickel(II) from synchrotron data [J] . Kim D.-W., Kim J.J., Shin J.W., Acta Crystallographica Section E: Crystallographic Communications . 2015,第7期

机译：来自同步加速器数据的反式-（1,8-二丁基-1,3,6,8,10,13-六氮杂环十四烷-κ4N3，N6，N10，N13）双（硫氰酸根-κN）镍（II）的晶体结构
3. Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(perchlorato-κO)copper(II) from synchrotron data [J] . Kim D.-W., Shin J.W., Moon D. Acta Crystallographica Section E: Crystallographic Communications . 2015,第2期

机译：来自同步加速器数据的反式-（1,8-二丁基-1,3,6,8,10,13-六氮杂环十四烷-κ4N3，N6，N10，N13）双（高氯根-κO）铜（II）的晶体结构
4. Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(isonicotinato-κO)nickel(II) determined from synchrotron data [O] . Jong Won Shin, Dae-Woong Kim, Dohyun Moon 2016

机译：由同步加速器数据确定的反式 - （1,8-二丁基-1,3,6,8,10,13-六氮杂环十四烷-κ4N3，N6，N10，N13）双（异烟酸 - κO）镍（II）的晶体结构

Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa#173;aza#173;cyclo#173;tetra#173;decane-#954;4N3,N6,N10,N13)bis#173;(isonicotinato-#954;O)copper(II) from synchrotron data

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