Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073893957> ?p ?o ?g. }
- W2073893957 endingPage "1097" @default.
- W2073893957 startingPage "1087" @default.
- W2073893957 abstract "New coordination polymer catena-poly[(N,N-diethylglycinato-κO,κN)copper(II)-μ-[N,N-diethylglycinato-κO1,κN:O2]] has been obtained by single-crystal X-ray diffraction. The copper(II) was surrounded with two amino N and two carboxyl O atoms in trans position in the coordination plane. Discrete polymeric chains were produced by axial coordinative bonding between copper(II) and carbonyl oxygen atom from adjacent asymmetric unit. Molecular mechanics (MM) force field developed to study the properties of copper(II) amino acid complexes reproduced well intermolecular aliphatic–aliphatic interactions between ethyl chains and C–H⋯O hydrogen bonding. The relative unit cell volume reproduction was 0.3%. Theoretical conformational analysis showed that experimentally obtained conformer was not the most stable in vacuo. The calculations of the unit cell packings and intermolecular interactions for a series of conformers elucidated the reasons that governed the experimentally obtained conformer to appear in the real crystal structure. MM results suggest that intermolecular aliphatic–aliphatic interactions between ethyl groups affected a conformational change concurrent with the change in the copper(II) coordination sphere upon crystallization." @default.
- W2073893957 created "2016-06-24" @default.
- W2073893957 creator A5074356143 @default.
- W2073893957 creator A5084548202 @default.
- W2073893957 date "2007-03-01" @default.
- W2073893957 modified "2023-09-27" @default.
- W2073893957 title "The effects of steric aliphatic–aliphatic interactions in the coordination polymer of bis(N,N-diethylglycinato)copper(II): Experimental evidence and theoretical modeling" @default.
- W2073893957 cites W1521741351 @default.
- W2073893957 cites W1568868449 @default.
- W2073893957 cites W1971620960 @default.
- W2073893957 cites W1980071134 @default.
- W2073893957 cites W1987231410 @default.
- W2073893957 cites W1989225220 @default.
- W2073893957 cites W1993383767 @default.
- W2073893957 cites W1994420359 @default.
- W2073893957 cites W1994740874 @default.
- W2073893957 cites W1996676105 @default.
- W2073893957 cites W1997337271 @default.
- W2073893957 cites W2004892461 @default.
- W2073893957 cites W2009872294 @default.
- W2073893957 cites W2021097407 @default.
- W2073893957 cites W2023271753 @default.
- W2073893957 cites W2024357224 @default.
- W2073893957 cites W2035634575 @default.
- W2073893957 cites W2037540251 @default.
- W2073893957 cites W2038533471 @default.
- W2073893957 cites W2063334178 @default.
- W2073893957 cites W2082647802 @default.
- W2073893957 cites W2084586294 @default.
- W2073893957 cites W2089608855 @default.
- W2073893957 cites W2091831748 @default.
- W2073893957 cites W2104999016 @default.
- W2073893957 cites W2109236600 @default.
- W2073893957 cites W2124462063 @default.
- W2073893957 cites W2125667018 @default.
- W2073893957 cites W2128544127 @default.
- W2073893957 cites W2130812481 @default.
- W2073893957 cites W2136310666 @default.
- W2073893957 cites W2143981217 @default.
- W2073893957 cites W2148284063 @default.
- W2073893957 cites W2148651355 @default.
- W2073893957 cites W2150443375 @default.
- W2073893957 cites W2161081916 @default.
- W2073893957 cites W2171910521 @default.
- W2073893957 cites W4237913387 @default.
- W2073893957 cites W4246004218 @default.
- W2073893957 cites W4255270388 @default.
- W2073893957 cites W999966286 @default.
- W2073893957 doi "https://doi.org/10.1016/j.poly.2006.09.087" @default.
- W2073893957 hasPublicationYear "2007" @default.
- W2073893957 type Work @default.
- W2073893957 sameAs 2073893957 @default.
- W2073893957 citedByCount "4" @default.
- W2073893957 countsByYear W20738939572014 @default.
- W2073893957 countsByYear W20738939572016 @default.
- W2073893957 crossrefType "journal-article" @default.
- W2073893957 hasAuthorship W2073893957A5074356143 @default.
- W2073893957 hasAuthorship W2073893957A5084548202 @default.
- W2073893957 hasConcept C11111787 @default.
- W2073893957 hasConcept C112887158 @default.
- W2073893957 hasConcept C115624301 @default.
- W2073893957 hasConcept C166950319 @default.
- W2073893957 hasConcept C178790620 @default.
- W2073893957 hasConcept C185592680 @default.
- W2073893957 hasConcept C18705241 @default.
- W2073893957 hasConcept C201194858 @default.
- W2073893957 hasConcept C32909587 @default.
- W2073893957 hasConcept C544778455 @default.
- W2073893957 hasConcept C71240020 @default.
- W2073893957 hasConcept C8010536 @default.
- W2073893957 hasConceptScore W2073893957C11111787 @default.
- W2073893957 hasConceptScore W2073893957C112887158 @default.
- W2073893957 hasConceptScore W2073893957C115624301 @default.
- W2073893957 hasConceptScore W2073893957C166950319 @default.
- W2073893957 hasConceptScore W2073893957C178790620 @default.
- W2073893957 hasConceptScore W2073893957C185592680 @default.
- W2073893957 hasConceptScore W2073893957C18705241 @default.
- W2073893957 hasConceptScore W2073893957C201194858 @default.
- W2073893957 hasConceptScore W2073893957C32909587 @default.
- W2073893957 hasConceptScore W2073893957C544778455 @default.
- W2073893957 hasConceptScore W2073893957C71240020 @default.
- W2073893957 hasConceptScore W2073893957C8010536 @default.
- W2073893957 hasIssue "5" @default.
- W2073893957 hasLocation W20738939571 @default.
- W2073893957 hasOpenAccess W2073893957 @default.
- W2073893957 hasPrimaryLocation W20738939571 @default.
- W2073893957 hasRelatedWork W1991883810 @default.
- W2073893957 hasRelatedWork W2013207129 @default.
- W2073893957 hasRelatedWork W2034230510 @default.
- W2073893957 hasRelatedWork W2092928577 @default.
- W2073893957 hasRelatedWork W2331298724 @default.
- W2073893957 hasRelatedWork W2378634178 @default.
- W2073893957 hasRelatedWork W2404645796 @default.
- W2073893957 hasRelatedWork W2900189639 @default.
- W2073893957 hasRelatedWork W2952948542 @default.
- W2073893957 hasRelatedWork W4288036460 @default.
- W2073893957 hasVolume "26" @default.
- W2073893957 isParatext "false" @default.